2-methylpropyl N-(4-aminocyclohexyl)-N-methylcarbamate

C12H24N2O2 — CID 79122045

IUPAC2-methylpropyl N-(4-aminocyclohexyl)-N-methylcarbamate
SMILESCC(C)COC(=O)N(C)C1CCC(N)CC1
InChIInChI=1S/C12H24N2O2/c1-9(2)8-16-12(15)14(3)11-6-4-10(13)5-7-11/h9-11H,4-8,13H2,1-3H3
InChIKeyPDFVZVIQCRYVPL-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.98
Rot. Bonds3

About 2-methylpropyl N-(4-aminocyclohexyl)-N-methylcarbamate

2-methylpropyl N-(4-aminocyclohexyl)-N-methylcarbamate (PubChem CID 79122045) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-methylpropyl N-(4-aminocyclohexyl)-N-methylcarbamate.

Molecular Properties

Compound Name2-methylpropyl N-(4-aminocyclohexyl)-N-methylcarbamate
PubChem CID79122045
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-methylpropyl N-(4-aminocyclohexyl)-N-methylcarbamate
SMILESCC(C)COC(=O)N(C)C1CCC(N)CC1
InChIInChI=1S/C12H24N2O2/c1-9(2)8-16-12(15)14(3)11-6-4-10(13)5-7-11/h9-11H,4-8,13H2,1-3H3
InChIKeyPDFVZVIQCRYVPL-UHFFFAOYSA-N
XLogP1.98
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl N-cyclopentyl-N-methylcarbamate
CID 163485016
ethyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 79121309
2-[(4-aminocyclohexyl)-methylcarbamoyl]oxyethyl-methylcarbamic acid
CID 20642575
N-(4-aminocyclohexyl)-2-methoxy-N-methylpropanamide
CID 115737651
benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
9H-fluoren-9-ylmethyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 167441327
ethyl N-[4-[4-[ethoxycarbonyl(methyl)amino]cyclohexyl]cyclohexyl]-N-methylcarbamate
CID 123982120
2,2,2-trifluoroethyl N-cyclopropyl-N-methylcarbamate
CID 62068097
2-methylpropyl N-(2-methylpropyl)-N-piperidin-4-ylcarbamate
CID 15676966
N-(4-aminocyclohexyl)-N,3,4,4-tetramethylpentanamide
CID 79121294
tert-butyl N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]-N-methylcarbamate
CID 107255751
cis-2-methylpropyl (1R,3S)-3-aminocyclopentane-1-carboxylate
CID 106323797

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(4-aminocyclohexyl)-N-methylcarbamate?
The IUPAC name of 2-methylpropyl N-(4-aminocyclohexyl)-N-methylcarbamate (CID 79122045) is 2-methylpropyl N-(4-aminocyclohexyl)-N-methylcarbamate.
What is the SMILES notation for 2-methylpropyl N-(4-aminocyclohexyl)-N-methylcarbamate?
The canonical SMILES for 2-methylpropyl N-(4-aminocyclohexyl)-N-methylcarbamate is CC(C)COC(=O)N(C)C1CCC(N)CC1.
What is the InChIKey of 2-methylpropyl N-(4-aminocyclohexyl)-N-methylcarbamate?
The InChIKey is PDFVZVIQCRYVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)8-16-12(15)14(3)11-6-4-10(13)5-7-11/h9-11H,4-8,13H2,1-3H3.
What are the key properties of 2-methylpropyl N-(4-aminocyclohexyl)-N-methylcarbamate?
2-methylpropyl N-(4-aminocyclohexyl)-N-methylcarbamate has a molecular weight of 228.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(4-aminocyclohexyl)-N-methylcarbamate is sourced from PubChem (CID 79122045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).