2-methylpropyl N-(4-aminocyclohexyl)carbamate

C11H22N2O2 — CID 43653620

IUPAC2-methylpropyl N-(4-aminocyclohexyl)carbamate
SMILESCC(C)COC(=O)NC1CCC(N)CC1
InChIInChI=1S/C11H22N2O2/c1-8(2)7-15-11(14)13-10-5-3-9(12)4-6-10/h8-10H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyPBRYPRRVEMNSAW-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.64
Rot. Bonds3

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

2-methylpropyl N-(4-aminocyclohexyl)carbamate (PubChem CID 43653620) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-methylpropyl N-(4-aminocyclohexyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(4-aminocyclohexyl)carbamate
PubChem CID43653620
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-methylpropyl N-(4-aminocyclohexyl)carbamate
SMILESCC(C)COC(=O)NC1CCC(N)CC1
InChIInChI=1S/C11H22N2O2/c1-8(2)7-15-11(14)13-10-5-3-9(12)4-6-10/h8-10H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyPBRYPRRVEMNSAW-UHFFFAOYSA-N
XLogP1.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(4-aminocyclohexyl)carbamate?
The IUPAC name of 2-methylpropyl N-(4-aminocyclohexyl)carbamate (CID 43653620) is 2-methylpropyl N-(4-aminocyclohexyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(4-aminocyclohexyl)carbamate?
The canonical SMILES for 2-methylpropyl N-(4-aminocyclohexyl)carbamate is CC(C)COC(=O)NC1CCC(N)CC1.
What is the InChIKey of 2-methylpropyl N-(4-aminocyclohexyl)carbamate?
The InChIKey is PBRYPRRVEMNSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)7-15-11(14)13-10-5-3-9(12)4-6-10/h8-10H,3-7,12H2,1-2H3,(H,13,14).
What are the key properties of 2-methylpropyl N-(4-aminocyclohexyl)carbamate?
2-methylpropyl N-(4-aminocyclohexyl)carbamate has a molecular weight of 214.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(4-aminocyclohexyl)carbamate is sourced from PubChem (CID 43653620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).