(3,5-dimethylcyclohexyl) N-[4-(aminomethyl)phenyl]carbamate

C16H24N2O2 — CID 64730203

IUPAC(3,5-dimethylcyclohexyl) N-[4-(aminomethyl)phenyl]carbamate
SMILESCC1CC(C)CC(OC(=O)Nc2ccc(CN)cc2)C1
InChIInChI=1S/C16H24N2O2/c1-11-7-12(2)9-15(8-11)20-16(19)18-14-5-3-13(10-17)4-6-14/h3-6,11-12,15H,7-10,17H2,1-2H3,(H,18,19)
InChIKeyOADFLSJRQFNUOF-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.52
Rot. Bonds3

About (3,5-dimethylcyclohexyl) N-[4-(aminomethyl)phenyl]carbamate

(3,5-dimethylcyclohexyl) N-[4-(aminomethyl)phenyl]carbamate (PubChem CID 64730203) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl) N-[4-(aminomethyl)phenyl]carbamate.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl) N-[4-(aminomethyl)phenyl]carbamate
PubChem CID64730203
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(3,5-dimethylcyclohexyl) N-[4-(aminomethyl)phenyl]carbamate
SMILESCC1CC(C)CC(OC(=O)Nc2ccc(CN)cc2)C1
InChIInChI=1S/C16H24N2O2/c1-11-7-12(2)9-15(8-11)20-16(19)18-14-5-3-13(10-17)4-6-14/h3-6,11-12,15H,7-10,17H2,1-2H3,(H,18,19)
InChIKeyOADFLSJRQFNUOF-UHFFFAOYSA-N
XLogP3.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl) N-[4-(aminomethyl)phenyl]carbamate?
The IUPAC name of (3,5-dimethylcyclohexyl) N-[4-(aminomethyl)phenyl]carbamate (CID 64730203) is (3,5-dimethylcyclohexyl) N-[4-(aminomethyl)phenyl]carbamate.
What is the SMILES notation for (3,5-dimethylcyclohexyl) N-[4-(aminomethyl)phenyl]carbamate?
The canonical SMILES for (3,5-dimethylcyclohexyl) N-[4-(aminomethyl)phenyl]carbamate is CC1CC(C)CC(OC(=O)Nc2ccc(CN)cc2)C1.
What is the InChIKey of (3,5-dimethylcyclohexyl) N-[4-(aminomethyl)phenyl]carbamate?
The InChIKey is OADFLSJRQFNUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-7-12(2)9-15(8-11)20-16(19)18-14-5-3-13(10-17)4-6-14/h3-6,11-12,15H,7-10,17H2,1-2H3,(H,18,19).
What are the key properties of (3,5-dimethylcyclohexyl) N-[4-(aminomethyl)phenyl]carbamate?
(3,5-dimethylcyclohexyl) N-[4-(aminomethyl)phenyl]carbamate has a molecular weight of 276.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl) N-[4-(aminomethyl)phenyl]carbamate is sourced from PubChem (CID 64730203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).