tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]cyclohexyl]carbamate

C27H52N4O6 — CID 159889394

IUPACtert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(N)CC1.CC(C)(C)OC(=O)NC1CCC(NC(=O)C(C)(C)CO)CC1
InChIInChI=1S/C16H30N2O4.C11H22N2O2/c1-15(2,3)22-14(21)18-12-8-6-11(7-9-12)17-13(20)16(4,5)10-19;1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h11-12,19H,6-10H2,1-5H3,(H,17,20)(H,18,21);8-9H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyNUNZHWBCYLHAFO-UHFFFAOYSA-N
MW528.74 g/mol
LogP3.74
Rot. Bonds5

About tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]cyclohexyl]carbamate

tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]cyclohexyl]carbamate (PubChem CID 159889394) has the molecular formula C27H52N4O6 and a molecular weight of 528.74 g/mol. Its IUPAC name is tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]cyclohexyl]carbamate
PubChem CID159889394
Molecular FormulaC27H52N4O6
Molecular Weight528.74 g/mol
Exact Mass528.39
IUPAC Nametert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(N)CC1.CC(C)(C)OC(=O)NC1CCC(NC(=O)C(C)(C)CO)CC1
InChIInChI=1S/C16H30N2O4.C11H22N2O2/c1-15(2,3)22-14(21)18-12-8-6-11(7-9-12)17-13(20)16(4,5)10-19;1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h11-12,19H,6-10H2,1-5H3,(H,17,20)(H,18,21);8-9H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyNUNZHWBCYLHAFO-UHFFFAOYSA-N
XLogP3.74
TPSA152.01 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.74
LogP ≤ 53.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]cyclohexyl]carbamate with MolForge

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Related Compounds

Boc-Ser-OH.DCHA
CID 12693562
N-cyclohexylcyclohexanamine;3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 20455997
Tert-butyl 4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]cyclohexylcarbamate
CID 21877153
Tert-butyl 4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]cyclohexylcarbamate hydrochloride
CID 21877198
[4-[(3-Hydroxy-2,2-dimethylpropanoyl)amino]cyclohexyl]carbamic acid
CID 69586353
N-cyclohexylcyclohexanamine;(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 70511476
tert-Butyl {(4S)-5-{[(2S)-2-amino-3-hydroxypropanoyl]amino}-4-[(tert-butoxycarbonyl)amino]pentyl}carbamate
CID 86624499
N-(4-aminocyclohexyl)-3-hydroxy-2,2-dimethylpropanamide;tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]cyclohexyl]carbamate
CID 159659690
1-(4-aminopiperidin-1-yl)-3-hydroxypropan-1-one;tert-butyl N-piperidin-4-ylcarbamate
CID 162193860
tert-butyl N-[4-[cyclohexyl(3-hydroxypropanoyl)amino]butyl]carbamate
CID 164773489
tert-butyl N-[4-[cycloheptyl(3-hydroxypropanoyl)amino]butyl]carbamate
CID 164773505
tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropyl)amino]cyclohexyl]carbamate
CID 115359109

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]cyclohexyl]carbamate (CID 159889394) is tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(N)CC1.CC(C)(C)OC(=O)NC1CCC(NC(=O)C(C)(C)CO)CC1.
What is the InChIKey of tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]cyclohexyl]carbamate?
The InChIKey is NUNZHWBCYLHAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4.C11H22N2O2/c1-15(2,3)22-14(21)18-12-8-6-11(7-9-12)17-13(20)16(4,5)10-19;1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h11-12,19H,6-10H2,1-5H3,(H,17,20)(H,18,21);8-9H,4-7,12H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]cyclohexyl]carbamate?
tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]cyclohexyl]carbamate has a molecular weight of 528.74 g/mol, XLogP of 3.74, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 159889394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).