(1S,13R)-10-(cyclopropylmethyl)-1,3,5,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol

C20H29NO — CID 59334307

IUPAC(1S,13R)-10-(cyclopropylmethyl)-1,3,5,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
SMILESCc1cc2c(c(C)c1O)[C@@]1(C)CCN(CC3CC3)C(C2)[C@@H]1C
InChIInChI=1S/C20H29NO/c1-12-9-16-10-17-14(3)20(4,18(16)13(2)19(12)22)7-8-21(17)11-15-5-6-15/h9,14-15,17,22H,5-8,10-11H2,1-4H3/t14-,17?,20-/m0/s1
InChIKeyTVJMLYLJBBFIKC-GCTQLOCRSA-N
MW299.46 g/mol
LogP3.94
Rot. Bonds2

About (1S,13R)-10-(cyclopropylmethyl)-1,3,5,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol

(1S,13R)-10-(cyclopropylmethyl)-1,3,5,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol (PubChem CID 59334307) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is (1S,13R)-10-(cyclopropylmethyl)-1,3,5,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol.

Molecular Properties

Compound Name(1S,13R)-10-(cyclopropylmethyl)-1,3,5,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
PubChem CID59334307
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name(1S,13R)-10-(cyclopropylmethyl)-1,3,5,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
SMILESCc1cc2c(c(C)c1O)[C@@]1(C)CCN(CC3CC3)C(C2)[C@@H]1C
InChIInChI=1S/C20H29NO/c1-12-9-16-10-17-14(3)20(4,18(16)13(2)19(12)22)7-8-21(17)11-15-5-6-15/h9,14-15,17,22H,5-8,10-11H2,1-4H3/t14-,17?,20-/m0/s1
InChIKeyTVJMLYLJBBFIKC-GCTQLOCRSA-N
XLogP3.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

10-(cyclopropylmethyl)-1,4,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 59419615
(1R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 23986637
(1S,13R)-10-(cyclopropylmethyl)-4-isocyano-1,3,5,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene;[(1S,13R)-10-(cyclopropylmethyl)-1,3,5,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl] trifluoromethanesulfonate
CID 90785722
(1R,9R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine
CID 25087623
(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-4,5-diamine
CID 59334291
(1S,9S,13S)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylic acid
CID 101103736
(1S,17R)-14-(cyclopropylmethyl)-1,5,17-trimethyl-6,8,14-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10-pentaene
CID 59334295
(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-4-piperidin-1-yl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene;dihydrochloride
CID 45260329
N-[(1R,9R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]benzamide
CID 101334599
(1S,9R,13R)-10-(cyclopropylmethyl)-N,1,4-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-amine
CID 159173291
(1R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-1,13-dimethyl-10-[[(2S)-oxolan-2-yl]methyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 157412922
(1S,9S,13S)-10-benzyl-3,5-dichloro-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol
CID 10429578

Frequently Asked Questions

What is the IUPAC name of (1S,13R)-10-(cyclopropylmethyl)-1,3,5,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol?
The IUPAC name of (1S,13R)-10-(cyclopropylmethyl)-1,3,5,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol (CID 59334307) is (1S,13R)-10-(cyclopropylmethyl)-1,3,5,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol.
What is the SMILES notation for (1S,13R)-10-(cyclopropylmethyl)-1,3,5,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol?
The canonical SMILES for (1S,13R)-10-(cyclopropylmethyl)-1,3,5,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol is Cc1cc2c(c(C)c1O)[C@@]1(C)CCN(CC3CC3)C(C2)[C@@H]1C.
What is the InChIKey of (1S,13R)-10-(cyclopropylmethyl)-1,3,5,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol?
The InChIKey is TVJMLYLJBBFIKC-GCTQLOCRSA-N. The full InChI is InChI=1S/C20H29NO/c1-12-9-16-10-17-14(3)20(4,18(16)13(2)19(12)22)7-8-21(17)11-15-5-6-15/h9,14-15,17,22H,5-8,10-11H2,1-4H3/t14-,17?,20-/m0/s1.
What are the key properties of (1S,13R)-10-(cyclopropylmethyl)-1,3,5,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol?
(1S,13R)-10-(cyclopropylmethyl)-1,3,5,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol has a molecular weight of 299.46 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,13R)-10-(cyclopropylmethyl)-1,3,5,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol is sourced from PubChem (CID 59334307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).