methyl N-[1-(aminomethyl)-3-methylcyclohexyl]carbamate

C10H20N2O2 — CID 63766942

IUPACmethyl N-[1-(aminomethyl)-3-methylcyclohexyl]carbamate
SMILESCOC(=O)NC1(CN)CCCC(C)C1
InChIInChI=1S/C10H20N2O2/c1-8-4-3-5-10(6-8,7-11)12-9(13)14-2/h8H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyVRVKYLSJOZNLTJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.25
Rot. Bonds2

About methyl N-[1-(aminomethyl)-3-methylcyclohexyl]carbamate

methyl N-[1-(aminomethyl)-3-methylcyclohexyl]carbamate (PubChem CID 63766942) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl N-[1-(aminomethyl)-3-methylcyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(aminomethyl)-3-methylcyclohexyl]carbamate
PubChem CID63766942
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl N-[1-(aminomethyl)-3-methylcyclohexyl]carbamate
SMILESCOC(=O)NC1(CN)CCCC(C)C1
InChIInChI=1S/C10H20N2O2/c1-8-4-3-5-10(6-8,7-11)12-9(13)14-2/h8H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyVRVKYLSJOZNLTJ-UHFFFAOYSA-N
XLogP1.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl N-[1-(aminomethyl)-3-methylcyclohexyl]carbamate 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

N-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylpropanamide
CID 63753681
methyl N-[1-(aminomethyl)cyclohexyl]carbamate
CID 63765596
tert-butyl N-[1-(bromomethyl)-3-methylcyclohexyl]carbamate
CID 114314705
N-[1-(aminomethyl)-3-methylcyclohexyl]-5-methyloxolane-3-carboxamide
CID 114823503
1-[1-(aminomethyl)-3-methylcyclohexyl]-3-benzylurea
CID 107654538
N-[1-(aminomethyl)-3-methylcyclohexyl]-4-propan-2-ylbenzamide
CID 63756015
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethoxybenzamide
CID 63754045
N-[1-(aminomethyl)-3-methylcyclohexyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104672843
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-hydroxy-4-methylbenzamide
CID 63754048
N-[1-(chloromethyl)-3-methylcyclohexyl]acetamide
CID 114303940
methyl 2-(1-amino-3-methylcyclohexyl)acetate
CID 79848601
propan-2-yl N-[1-(aminomethyl)-4-methylcyclohexyl]carbamate
CID 63765786

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(aminomethyl)-3-methylcyclohexyl]carbamate?
The IUPAC name of methyl N-[1-(aminomethyl)-3-methylcyclohexyl]carbamate (CID 63766942) is methyl N-[1-(aminomethyl)-3-methylcyclohexyl]carbamate.
What is the SMILES notation for methyl N-[1-(aminomethyl)-3-methylcyclohexyl]carbamate?
The canonical SMILES for methyl N-[1-(aminomethyl)-3-methylcyclohexyl]carbamate is COC(=O)NC1(CN)CCCC(C)C1.
What is the InChIKey of methyl N-[1-(aminomethyl)-3-methylcyclohexyl]carbamate?
The InChIKey is VRVKYLSJOZNLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8-4-3-5-10(6-8,7-11)12-9(13)14-2/h8H,3-7,11H2,1-2H3,(H,12,13).
What are the key properties of methyl N-[1-(aminomethyl)-3-methylcyclohexyl]carbamate?
methyl N-[1-(aminomethyl)-3-methylcyclohexyl]carbamate has a molecular weight of 200.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(aminomethyl)-3-methylcyclohexyl]carbamate is sourced from PubChem (CID 63766942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).