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

C17H27N — CID 61166824

IUPACN-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine
SMILESCC(C)(C)CNC1CCCCC1c1ccccc1
InChIInChI=1S/C17H27N/c1-17(2,3)13-18-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h4-6,9-10,15-16,18H,7-8,11-13H2,1-3H3
InChIKeySPQGQGOTDPEKKL-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.35
Rot. Bonds3

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

N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine (PubChem CID 61166824) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine
PubChem CID61166824
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine
SMILESCC(C)(C)CNC1CCCCC1c1ccccc1
InChIInChI=1S/C17H27N/c1-17(2,3)13-18-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h4-6,9-10,15-16,18H,7-8,11-13H2,1-3H3
InChIKeySPQGQGOTDPEKKL-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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Related Compounds

2-N,2-N,2-trimethyl-1-N-(2-phenylcyclohexyl)propane-1,2-diamine
CID 43767796
3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol
CID 65105347
2-ethyl-2-[[(2-phenylcyclohexyl)amino]methyl]butan-1-ol
CID 106252164
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
4,4-dimethyl-1-[(2-phenylcyclohexyl)amino]pentan-2-ol
CID 107151533
trans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine
CID 159407891
N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine
CID 43775635
N-[(1-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine
CID 63821128
N'-(2-phenylcyclohexyl)propane-1,3-diamine
CID 60895197
3-[(2-phenylcyclohexyl)amino]propanoic acid
CID 43774837
N-[(3-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine
CID 107412166
N-(3-ethoxypropyl)-2-phenylcyclohexan-1-amine
CID 43765298

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine (CID 61166824) is N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine is CC(C)(C)CNC1CCCCC1c1ccccc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine?
The InChIKey is SPQGQGOTDPEKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-17(2,3)13-18-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h4-6,9-10,15-16,18H,7-8,11-13H2,1-3H3.
What are the key properties of N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine?
N-(2,2-dimethylpropyl)-2-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)-2-phenylcyclohexan-1-amine is sourced from PubChem (CID 61166824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).