(4-amino-1-methylcyclohexyl) carbamate

C8H16N2O2 — CID 70612283

IUPAC(4-amino-1-methylcyclohexyl) carbamate
SMILESCC1(OC(N)=O)CCC(N)CC1
InChIInChI=1S/C8H16N2O2/c1-8(12-7(10)11)4-2-6(9)3-5-8/h6H,2-5,9H2,1H3,(H2,10,11)
InChIKeyAOTDMZHDFUZXNC-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.74
Rot. Bonds1

About (4-amino-1-methylcyclohexyl) carbamate

(4-amino-1-methylcyclohexyl) carbamate (PubChem CID 70612283) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (4-amino-1-methylcyclohexyl) carbamate.

Molecular Properties

Compound Name(4-amino-1-methylcyclohexyl) carbamate
PubChem CID70612283
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(4-amino-1-methylcyclohexyl) carbamate
SMILESCC1(OC(N)=O)CCC(N)CC1
InChIInChI=1S/C8H16N2O2/c1-8(12-7(10)11)4-2-6(9)3-5-8/h6H,2-5,9H2,1H3,(H2,10,11)
InChIKeyAOTDMZHDFUZXNC-UHFFFAOYSA-N
XLogP0.74
TPSA78.34 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 ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylcyclohexyl) carbamate?
The IUPAC name of (4-amino-1-methylcyclohexyl) carbamate (CID 70612283) is (4-amino-1-methylcyclohexyl) carbamate.
What is the SMILES notation for (4-amino-1-methylcyclohexyl) carbamate?
The canonical SMILES for (4-amino-1-methylcyclohexyl) carbamate is CC1(OC(N)=O)CCC(N)CC1.
What is the InChIKey of (4-amino-1-methylcyclohexyl) carbamate?
The InChIKey is AOTDMZHDFUZXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-8(12-7(10)11)4-2-6(9)3-5-8/h6H,2-5,9H2,1H3,(H2,10,11).
What are the key properties of (4-amino-1-methylcyclohexyl) carbamate?
(4-amino-1-methylcyclohexyl) carbamate has a molecular weight of 172.23 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylcyclohexyl) carbamate is sourced from PubChem (CID 70612283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).