(1-amino-3-cyclohexylpropan-2-yl) N-methylcarbamate

C11H22N2O2 — CID 130454840

IUPAC(1-amino-3-cyclohexylpropan-2-yl) N-methylcarbamate
SMILESCNC(=O)OC(CN)CC1CCCCC1
InChIInChI=1S/C11H22N2O2/c1-13-11(14)15-10(8-12)7-9-5-3-2-4-6-9/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyKYDPVFXFIVJNSM-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.64
Rot. Bonds4

About (1-amino-3-cyclohexylpropan-2-yl) N-methylcarbamate

(1-amino-3-cyclohexylpropan-2-yl) N-methylcarbamate (PubChem CID 130454840) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (1-amino-3-cyclohexylpropan-2-yl) N-methylcarbamate.

Molecular Properties

Compound Name(1-amino-3-cyclohexylpropan-2-yl) N-methylcarbamate
PubChem CID130454840
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(1-amino-3-cyclohexylpropan-2-yl) N-methylcarbamate
SMILESCNC(=O)OC(CN)CC1CCCCC1
InChIInChI=1S/C11H22N2O2/c1-13-11(14)15-10(8-12)7-9-5-3-2-4-6-9/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyKYDPVFXFIVJNSM-UHFFFAOYSA-N
XLogP1.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1-amino-3-cyclohexylpropan-2-yl) N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cycloheptylmethyl N-methylcarbamate
CID 57322822
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
methyl 3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 4264602
N-(3-amino-2-methylpropyl)-3-cyclohexyl-2-methylpropanamide
CID 119996085
methyl N-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]carbamate
CID 59259280
3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 14478229
(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2755927
3-cyclopentyl-2-methoxy-N-methylpropan-1-amine
CID 105434938
2-(aminomethyl)-3-(cyclohexylmethyl)pentanoic acid
CID 69268124
methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate
CID 171080468
N-(3-aminopropyl)-3-cyclohexyl-2-methylpropanamide
CID 119407411
[(2S)-1-cyclododecylpropan-2-yl] acetate
CID 7452366

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-cyclohexylpropan-2-yl) N-methylcarbamate?
The IUPAC name of (1-amino-3-cyclohexylpropan-2-yl) N-methylcarbamate (CID 130454840) is (1-amino-3-cyclohexylpropan-2-yl) N-methylcarbamate.
What is the SMILES notation for (1-amino-3-cyclohexylpropan-2-yl) N-methylcarbamate?
The canonical SMILES for (1-amino-3-cyclohexylpropan-2-yl) N-methylcarbamate is CNC(=O)OC(CN)CC1CCCCC1.
What is the InChIKey of (1-amino-3-cyclohexylpropan-2-yl) N-methylcarbamate?
The InChIKey is KYDPVFXFIVJNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-13-11(14)15-10(8-12)7-9-5-3-2-4-6-9/h9-10H,2-8,12H2,1H3,(H,13,14).
What are the key properties of (1-amino-3-cyclohexylpropan-2-yl) N-methylcarbamate?
(1-amino-3-cyclohexylpropan-2-yl) N-methylcarbamate has a molecular weight of 214.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-cyclohexylpropan-2-yl) N-methylcarbamate is sourced from PubChem (CID 130454840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).