benzyl N-(9-azabicyclo[3.3.1]nonan-3-yl)carbamate;tert-butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate;(2R,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-2-carboxamide;9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C61H94N12O6 — CID 163809786

IUPACbenzyl N-(9-azabicyclo[3.3.1]nonan-3-yl)carbamate;tert-butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate;(2R,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-2-carboxamide;9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(C)(C)OC(=O)N1C2CCCC1CC(N)C2.CN1C2CCCC1CC(N)C2.C[C@@H]1CN(c2ccc(C#N)n3nccc23)C[C@H](C(=O)NC2CC3CCCC(C2)N3C)O1.O=C(NC1CC2CCCC(C1)N2)OCc1ccccc1
InChIInChI=1S/C23H30N6O2.C16H22N2O2.C13H24N2O2.C9H18N2/c1-15-13-28(20-7-6-19(12-24)29-21(20)8-9-25-29)14-22(31-15)23(30)26-16-10-17-4-3-5-18(11-16)27(17)2;19-16(20-11-12-5-2-1-3-6-12)18-15-9-13-7-4-8-14(10-15)17-13;1-13(2,3)17-12(16)15-10-5-4-6-11(15)8-9(14)7-10;1-11-8-3-2-4-9(11)6-7(10)5-8/h6-9,15-18,22H,3-5,10-11,13-14H2,1-2H3,(H,26,30);1-3,5-6,13-15,17H,4,7-11H2,(H,18,19);9-11H,4-8,14H2,1-3H3;7-9H,2-6,10H2,1H3/t15-,16?,17?,18?,22-;;;/m1.../s1
InChIKeyNMFRHUINXDZHJO-PWAUJSRBSA-N
MW1091.50 g/mol
LogP7.74
Rot. Bonds6

About benzyl N-(9-azabicyclo[3.3.1]nonan-3-yl)carbamate;tert-butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate;(2R,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-2-carboxamide;9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

benzyl N-(9-azabicyclo[3.3.1]nonan-3-yl)carbamate;tert-butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate;(2R,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-2-carboxamide;9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 163809786) has the molecular formula C61H94N12O6 and a molecular weight of 1091.50 g/mol. Its IUPAC name is benzyl N-(9-azabicyclo[3.3.1]nonan-3-yl)carbamate;tert-butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate;(2R,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-2-carboxamide;9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Namebenzyl N-(9-azabicyclo[3.3.1]nonan-3-yl)carbamate;tert-butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate;(2R,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-2-carboxamide;9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID163809786
Molecular FormulaC61H94N12O6
Molecular Weight1091.50 g/mol
Exact Mass1090.74
IUPAC Namebenzyl N-(9-azabicyclo[3.3.1]nonan-3-yl)carbamate;tert-butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate;(2R,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-2-carboxamide;9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(C)(C)OC(=O)N1C2CCCC1CC(N)C2.CN1C2CCCC1CC(N)C2.C[C@@H]1CN(c2ccc(C#N)n3nccc23)C[C@H](C(=O)NC2CC3CCCC(C2)N3C)O1.O=C(NC1CC2CCCC(C1)N2)OCc1ccccc1
InChIInChI=1S/C23H30N6O2.C16H22N2O2.C13H24N2O2.C9H18N2/c1-15-13-28(20-7-6-19(12-24)29-21(20)8-9-25-29)14-22(31-15)23(30)26-16-10-17-4-3-5-18(11-16)27(17)2;19-16(20-11-12-5-2-1-3-6-12)18-15-9-13-7-4-8-14(10-15)17-13;1-13(2,3)17-12(16)15-10-5-4-6-11(15)8-9(14)7-10;1-11-8-3-2-4-9(11)6-7(10)5-8/h6-9,15-18,22H,3-5,10-11,13-14H2,1-2H3,(H,26,30);1-3,5-6,13-15,17H,4,7-11H2,(H,18,19);9-11H,4-8,14H2,1-3H3;7-9H,2-6,10H2,1H3/t15-,16?,17?,18?,22-;;;/m1.../s1
InChIKeyNMFRHUINXDZHJO-PWAUJSRBSA-N
XLogP7.74
TPSA221.08 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001091.50
LogP ≤ 57.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze benzyl N-(9-azabicyclo[3.3.1]nonan-3-yl)carbamate;tert-butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate;(2R,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-2-carboxamide;9-methyl-9-azabicyclo[3.3.1]nonan-3-amine with MolForge

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Related Compounds

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CID 171936899
tert-butyl 3-[1-bromo-4-fluoro-6-(phenylmethoxycarbonylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 146349607
benzyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171936690
tert-butyl 3-[5-fluoro-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-chromen-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 142528505
tert-butyl (4aS,6R,7aR)-6-(phenylmethoxycarbonylamino)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine-2-carboxylate
CID 70371401
benzyl N-[(1S,3R)-3-aminocyclohexyl]carbamate;benzyl N-[(1S,3R)-3-methylcyclohexyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 162036532
benzyl (1S,5R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylcarbamate
CID 167690175
tert-butyl (2R)-2-amino-7-azabicyclo[2.2.1]heptane-7-carboxylate;tert-butyl (2R)-2-(phenylmethoxycarbonylamino)-7-azabicyclo[2.2.1]heptane-7-carboxylate;ethanol
CID 161468065
(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoroacetamide;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoro-N-methylacetamide;tert-butyl (1S,5R)-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylate;tert-butyl (1S,5R)-3-[methyl-(2,2,2-trifluoroacetyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxylate;molecular iodine
CID 160916056
benzyl N-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methyl]carbamate
CID 171936884
8-[(2-methylpropan-2-yl)oxycarbonyl]-3-(phenylmethoxycarbonylamino)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 171936778

Frequently Asked Questions

What is the IUPAC name of benzyl N-(9-azabicyclo[3.3.1]nonan-3-yl)carbamate;tert-butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate;(2R,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-2-carboxamide;9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of benzyl N-(9-azabicyclo[3.3.1]nonan-3-yl)carbamate;tert-butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate;(2R,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-2-carboxamide;9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 163809786) is benzyl N-(9-azabicyclo[3.3.1]nonan-3-yl)carbamate;tert-butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate;(2R,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-2-carboxamide;9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for benzyl N-(9-azabicyclo[3.3.1]nonan-3-yl)carbamate;tert-butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate;(2R,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-2-carboxamide;9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for benzyl N-(9-azabicyclo[3.3.1]nonan-3-yl)carbamate;tert-butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate;(2R,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-2-carboxamide;9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CC(C)(C)OC(=O)N1C2CCCC1CC(N)C2.CN1C2CCCC1CC(N)C2.C[C@@H]1CN(c2ccc(C#N)n3nccc23)C[C@H](C(=O)NC2CC3CCCC(C2)N3C)O1.O=C(NC1CC2CCCC(C1)N2)OCc1ccccc1.
What is the InChIKey of benzyl N-(9-azabicyclo[3.3.1]nonan-3-yl)carbamate;tert-butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate;(2R,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-2-carboxamide;9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is NMFRHUINXDZHJO-PWAUJSRBSA-N. The full InChI is InChI=1S/C23H30N6O2.C16H22N2O2.C13H24N2O2.C9H18N2/c1-15-13-28(20-7-6-19(12-24)29-21(20)8-9-25-29)14-22(31-15)23(30)26-16-10-17-4-3-5-18(11-16)27(17)2;19-16(20-11-12-5-2-1-3-6-12)18-15-9-13-7-4-8-14(10-15)17-13;1-13(2,3)17-12(16)15-10-5-4-6-11(15)8-9(14)7-10;1-11-8-3-2-4-9(11)6-7(10)5-8/h6-9,15-18,22H,3-5,10-11,13-14H2,1-2H3,(H,26,30);1-3,5-6,13-15,17H,4,7-11H2,(H,18,19);9-11H,4-8,14H2,1-3H3;7-9H,2-6,10H2,1H3/t15-,16?,17?,18?,22-;;;/m1.../s1.
What are the key properties of benzyl N-(9-azabicyclo[3.3.1]nonan-3-yl)carbamate;tert-butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate;(2R,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-2-carboxamide;9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
benzyl N-(9-azabicyclo[3.3.1]nonan-3-yl)carbamate;tert-butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate;(2R,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-2-carboxamide;9-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 1091.50 g/mol, XLogP of 7.74, 6 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(9-azabicyclo[3.3.1]nonan-3-yl)carbamate;tert-butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate;(2R,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-2-carboxamide;9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 163809786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).