(4-aminocyclohexyl) carbamate

C7H14N2O2 — CID 67070291

IUPAC(4-aminocyclohexyl) carbamate
SMILESNC(=O)OC1CCC(N)CC1
InChIInChI=1S/C7H14N2O2/c8-5-1-3-6(4-2-5)11-7(9)10/h5-6H,1-4,8H2,(H2,9,10)
InChIKeyVDAXSUWCLDAOTF-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.35
Rot. Bonds1

About (4-aminocyclohexyl) carbamate

(4-aminocyclohexyl) carbamate (PubChem CID 67070291) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (4-aminocyclohexyl) carbamate.

Molecular Properties

Compound Name(4-aminocyclohexyl) carbamate
PubChem CID67070291
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(4-aminocyclohexyl) carbamate
SMILESNC(=O)OC1CCC(N)CC1
InChIInChI=1S/C7H14N2O2/c8-5-1-3-6(4-2-5)11-7(9)10/h5-6H,1-4,8H2,(H2,9,10)
InChIKeyVDAXSUWCLDAOTF-UHFFFAOYSA-N
XLogP0.35
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexyl) carbamate?
The IUPAC name of (4-aminocyclohexyl) carbamate (CID 67070291) is (4-aminocyclohexyl) carbamate.
What is the SMILES notation for (4-aminocyclohexyl) carbamate?
The canonical SMILES for (4-aminocyclohexyl) carbamate is NC(=O)OC1CCC(N)CC1.
What is the InChIKey of (4-aminocyclohexyl) carbamate?
The InChIKey is VDAXSUWCLDAOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c8-5-1-3-6(4-2-5)11-7(9)10/h5-6H,1-4,8H2,(H2,9,10).
What are the key properties of (4-aminocyclohexyl) carbamate?
(4-aminocyclohexyl) carbamate has a molecular weight of 158.20 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexyl) carbamate is sourced from PubChem (CID 67070291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).