methyl N-[1-(aminomethyl)cyclohexyl]carbamate

C9H18N2O2 — CID 63765596

IUPACmethyl N-[1-(aminomethyl)cyclohexyl]carbamate
SMILESCOC(=O)NC1(CN)CCCCC1
InChIInChI=1S/C9H18N2O2/c1-13-8(12)11-9(7-10)5-3-2-4-6-9/h2-7,10H2,1H3,(H,11,12)
InChIKeyAFQTXJSQHAPSDY-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.00
Rot. Bonds2

About methyl N-[1-(aminomethyl)cyclohexyl]carbamate

methyl N-[1-(aminomethyl)cyclohexyl]carbamate (PubChem CID 63765596) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl N-[1-(aminomethyl)cyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(aminomethyl)cyclohexyl]carbamate
PubChem CID63765596
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl N-[1-(aminomethyl)cyclohexyl]carbamate
SMILESCOC(=O)NC1(CN)CCCCC1
InChIInChI=1S/C9H18N2O2/c1-13-8(12)11-9(7-10)5-3-2-4-6-9/h2-7,10H2,1H3,(H,11,12)
InChIKeyAFQTXJSQHAPSDY-UHFFFAOYSA-N
XLogP1.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]-2-methoxyacetamide
CID 63755662
methyl N-[1-(aminomethyl)-3-methylcyclohexyl]carbamate
CID 63766942
2-methylpropyl N-[1-(aminomethyl)cyclopentyl]carbamate
CID 63766538
3-[1-(aminomethyl)cyclopentyl]-1,1-dimethylurea
CID 79154067
N-[1-(aminomethyl)cyclohexyl]-2-methoxy-2-methylbutanamide
CID 114106377
N-[1-(aminomethyl)cyclohexyl]-2-methylbutanamide
CID 63756005
methyl N-[1-(methoxycarbonylamino)cyclohexyl]carbamate
CID 19883846
N-[1-(aminomethyl)cycloheptyl]prop-2-ynamide
CID 82505299
N-[1-(aminomethyl)cyclooctyl]azepane-1-carboxamide
CID 79151741
N-[1-(aminomethyl)cyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475793
N-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003388
N-[1-(aminomethyl)cyclopentyl]-5-methoxypentanamide;hydrochloride
CID 119567009

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(aminomethyl)cyclohexyl]carbamate?
The IUPAC name of methyl N-[1-(aminomethyl)cyclohexyl]carbamate (CID 63765596) is methyl N-[1-(aminomethyl)cyclohexyl]carbamate.
What is the SMILES notation for methyl N-[1-(aminomethyl)cyclohexyl]carbamate?
The canonical SMILES for methyl N-[1-(aminomethyl)cyclohexyl]carbamate is COC(=O)NC1(CN)CCCCC1.
What is the InChIKey of methyl N-[1-(aminomethyl)cyclohexyl]carbamate?
The InChIKey is AFQTXJSQHAPSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-13-8(12)11-9(7-10)5-3-2-4-6-9/h2-7,10H2,1H3,(H,11,12).
What are the key properties of methyl N-[1-(aminomethyl)cyclohexyl]carbamate?
methyl N-[1-(aminomethyl)cyclohexyl]carbamate has a molecular weight of 186.25 g/mol, XLogP of 1.00, 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)cyclohexyl]carbamate is sourced from PubChem (CID 63765596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).