(1-aminocyclohexyl)methyl N,N-diethylcarbamate

C12H24N2O2 — CID 79338374

IUPAC(1-aminocyclohexyl)methyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCC1(N)CCCCC1
InChIInChI=1S/C12H24N2O2/c1-3-14(4-2)11(15)16-10-12(13)8-6-5-7-9-12/h3-10,13H2,1-2H3
InChIKeyPIVCKIGLPMJFPC-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.13
Rot. Bonds4

About (1-aminocyclohexyl)methyl N,N-diethylcarbamate

(1-aminocyclohexyl)methyl N,N-diethylcarbamate (PubChem CID 79338374) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (1-aminocyclohexyl)methyl N,N-diethylcarbamate.

Molecular Properties

Compound Name(1-aminocyclohexyl)methyl N,N-diethylcarbamate
PubChem CID79338374
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(1-aminocyclohexyl)methyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCC1(N)CCCCC1
InChIInChI=1S/C12H24N2O2/c1-3-14(4-2)11(15)16-10-12(13)8-6-5-7-9-12/h3-10,13H2,1-2H3
InChIKeyPIVCKIGLPMJFPC-UHFFFAOYSA-N
XLogP2.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)methyl N,N-diethylcarbamate?
The IUPAC name of (1-aminocyclohexyl)methyl N,N-diethylcarbamate (CID 79338374) is (1-aminocyclohexyl)methyl N,N-diethylcarbamate.
What is the SMILES notation for (1-aminocyclohexyl)methyl N,N-diethylcarbamate?
The canonical SMILES for (1-aminocyclohexyl)methyl N,N-diethylcarbamate is CCN(CC)C(=O)OCC1(N)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl)methyl N,N-diethylcarbamate?
The InChIKey is PIVCKIGLPMJFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-14(4-2)11(15)16-10-12(13)8-6-5-7-9-12/h3-10,13H2,1-2H3.
What are the key properties of (1-aminocyclohexyl)methyl N,N-diethylcarbamate?
(1-aminocyclohexyl)methyl N,N-diethylcarbamate has a molecular weight of 228.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)methyl N,N-diethylcarbamate is sourced from PubChem (CID 79338374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).