1-(2,2-dimethylcyclohexyl)-N-ethyl-4-phenylbutan-1-amine

C20H33N — CID 107188459

IUPAC1-(2,2-dimethylcyclohexyl)-N-ethyl-4-phenylbutan-1-amine
SMILESCCNC(CCCc1ccccc1)C1CCCCC1(C)C
InChIInChI=1S/C20H33N/c1-4-21-19(18-14-8-9-16-20(18,2)3)15-10-13-17-11-6-5-7-12-17/h5-7,11-12,18-19,21H,4,8-10,13-16H2,1-3H3
InChIKeyJZAAOKKJEMOIIC-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.20
Rot. Bonds7

About 1-(2,2-dimethylcyclohexyl)-N-ethyl-4-phenylbutan-1-amine

1-(2,2-dimethylcyclohexyl)-N-ethyl-4-phenylbutan-1-amine (PubChem CID 107188459) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-N-ethyl-4-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-N-ethyl-4-phenylbutan-1-amine
PubChem CID107188459
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name1-(2,2-dimethylcyclohexyl)-N-ethyl-4-phenylbutan-1-amine
SMILESCCNC(CCCc1ccccc1)C1CCCCC1(C)C
InChIInChI=1S/C20H33N/c1-4-21-19(18-14-8-9-16-20(18,2)3)15-10-13-17-11-6-5-7-12-17/h5-7,11-12,18-19,21H,4,8-10,13-16H2,1-3H3
InChIKeyJZAAOKKJEMOIIC-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6-bicyclo[3.1.0]hexanyl)-N-ethyl-4-phenylbutan-1-amine
CID 115849575
1-(2,2-dimethylcyclohexyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 107179603
1-(2,2-dimethylcyclopropyl)-4-phenyl-N-propylbutan-1-amine
CID 107004361
1-(2,2-dimethylcyclohexyl)-N-ethylhex-5-en-1-amine
CID 107189124
N-ethyl-1-(4-ethylcyclohexyl)-4-phenylbutan-1-amine
CID 65394984
N-ethyl-1-(oxan-4-yl)-4-phenylbutan-1-amine
CID 65334608
N-[(2,2-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine
CID 107177413
N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)-4-phenylbutan-1-amine
CID 115388037
1-(2,2-dimethylcyclopentyl)-N-ethylpropan-1-amine
CID 79863310
2-cyclohexyl-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107188282
1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 107179538
2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107191654

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-N-ethyl-4-phenylbutan-1-amine?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-N-ethyl-4-phenylbutan-1-amine (CID 107188459) is 1-(2,2-dimethylcyclohexyl)-N-ethyl-4-phenylbutan-1-amine.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-N-ethyl-4-phenylbutan-1-amine?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-N-ethyl-4-phenylbutan-1-amine is CCNC(CCCc1ccccc1)C1CCCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-N-ethyl-4-phenylbutan-1-amine?
The InChIKey is JZAAOKKJEMOIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-4-21-19(18-14-8-9-16-20(18,2)3)15-10-13-17-11-6-5-7-12-17/h5-7,11-12,18-19,21H,4,8-10,13-16H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-N-ethyl-4-phenylbutan-1-amine?
1-(2,2-dimethylcyclohexyl)-N-ethyl-4-phenylbutan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-N-ethyl-4-phenylbutan-1-amine is sourced from PubChem (CID 107188459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).