N-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine

C17H27N — CID 19381411

IUPACN-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine
SMILESCC(C)(C)CNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H27N/c1-17(2,3)13-18-16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-8,15-16,18H,9-13H2,1-3H3
InChIKeyUCJUGRGIRCPJLP-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.35
Rot. Bonds3

About N-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine

N-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine (PubChem CID 19381411) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine
PubChem CID19381411
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine
SMILESCC(C)(C)CNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H27N/c1-17(2,3)13-18-16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-8,15-16,18H,9-13H2,1-3H3
InChIKeyUCJUGRGIRCPJLP-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine (CID 19381411) is N-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine is CC(C)(C)CNC1CCC(c2ccccc2)CC1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine?
The InChIKey is UCJUGRGIRCPJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-17(2,3)13-18-16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-8,15-16,18H,9-13H2,1-3H3.
What are the key properties of N-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine?
N-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 19381411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).