methyl N-(1-aminocyclohexyl)carbamate

C8H16N2O2 — CID 67424148

IUPACmethyl N-(1-aminocyclohexyl)carbamate
SMILESCOC(=O)NC1(N)CCCCC1
InChIInChI=1S/C8H16N2O2/c1-12-7(11)10-8(9)5-3-2-4-6-8/h2-6,9H2,1H3,(H,10,11)
InChIKeyKXVWNQMQJKUJBM-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.96
Rot. Bonds1

About methyl N-(1-aminocyclohexyl)carbamate

methyl N-(1-aminocyclohexyl)carbamate (PubChem CID 67424148) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is methyl N-(1-aminocyclohexyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-aminocyclohexyl)carbamate
PubChem CID67424148
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Namemethyl N-(1-aminocyclohexyl)carbamate
SMILESCOC(=O)NC1(N)CCCCC1
InChIInChI=1S/C8H16N2O2/c1-12-7(11)10-8(9)5-3-2-4-6-8/h2-6,9H2,1H3,(H,10,11)
InChIKeyKXVWNQMQJKUJBM-UHFFFAOYSA-N
XLogP0.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-(1-aminocyclohexyl)carbamate?
The IUPAC name of methyl N-(1-aminocyclohexyl)carbamate (CID 67424148) is methyl N-(1-aminocyclohexyl)carbamate.
What is the SMILES notation for methyl N-(1-aminocyclohexyl)carbamate?
The canonical SMILES for methyl N-(1-aminocyclohexyl)carbamate is COC(=O)NC1(N)CCCCC1.
What is the InChIKey of methyl N-(1-aminocyclohexyl)carbamate?
The InChIKey is KXVWNQMQJKUJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-12-7(11)10-8(9)5-3-2-4-6-8/h2-6,9H2,1H3,(H,10,11).
What are the key properties of methyl N-(1-aminocyclohexyl)carbamate?
methyl N-(1-aminocyclohexyl)carbamate has a molecular weight of 172.23 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-aminocyclohexyl)carbamate is sourced from PubChem (CID 67424148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).