3,5-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine

C18H29N — CID 79008421

IUPAC3,5-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(Cc1ccccc1)NC1CC(C)CC(C)C1
InChIInChI=1S/C18H29N/c1-4-17(13-16-8-6-5-7-9-16)19-18-11-14(2)10-15(3)12-18/h5-9,14-15,17-19H,4,10-13H2,1-3H3
InChIKeyNVEIVNPKQMFKRG-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.42
Rot. Bonds5

About 3,5-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine

3,5-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine (PubChem CID 79008421) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
PubChem CID79008421
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name3,5-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(Cc1ccccc1)NC1CC(C)CC(C)C1
InChIInChI=1S/C18H29N/c1-4-17(13-16-8-6-5-7-9-16)19-18-11-14(2)10-15(3)12-18/h5-9,14-15,17-19H,4,10-13H2,1-3H3
InChIKeyNVEIVNPKQMFKRG-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(3S,5S)-3,5-dimethyl-N-pentan-3-ylcyclohexan-1-amine
CID 96732201
2,4-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
CID 79008149
3,3,5,5-tetramethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
CID 103965752
N-(1-phenylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 79008757
1-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine
CID 79007602
N-(1-phenylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81296915
2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
CID 64732718
5-phenyl-4-[(3,3,5-trimethylcyclohexyl)amino]pentanoic acid
CID 122046069
N-(1-cyclobutylethyl)-1-phenylbutan-2-amine
CID 115716509
N-(3,5-dimethylcyclohexyl)-3-phenyl-2-sulfanylpropanamide
CID 107030989
N-heptan-3-yl-3,5-dimethylcyclohexan-1-amine
CID 64734397
(2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 104922859

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine (CID 79008421) is 3,5-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine is CCC(Cc1ccccc1)NC1CC(C)CC(C)C1.
What is the InChIKey of 3,5-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is NVEIVNPKQMFKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-17(13-16-8-6-5-7-9-16)19-18-11-14(2)10-15(3)12-18/h5-9,14-15,17-19H,4,10-13H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine?
3,5-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 79008421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).