(4-butan-2-ylphenyl)-(2,2-dimethylcyclopentyl)methanamine

C18H29N — CID 107177011

IUPAC(4-butan-2-ylphenyl)-(2,2-dimethylcyclopentyl)methanamine
SMILESCCC(C)c1ccc(C(N)C2CCCC2(C)C)cc1
InChIInChI=1S/C18H29N/c1-5-13(2)14-8-10-15(11-9-14)17(19)16-7-6-12-18(16,3)4/h8-11,13,16-17H,5-7,12,19H2,1-4H3
InChIKeySFQJRGWRIXSANZ-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.03
Rot. Bonds4

About (4-butan-2-ylphenyl)-(2,2-dimethylcyclopentyl)methanamine

(4-butan-2-ylphenyl)-(2,2-dimethylcyclopentyl)methanamine (PubChem CID 107177011) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is (4-butan-2-ylphenyl)-(2,2-dimethylcyclopentyl)methanamine.

Molecular Properties

Compound Name(4-butan-2-ylphenyl)-(2,2-dimethylcyclopentyl)methanamine
PubChem CID107177011
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name(4-butan-2-ylphenyl)-(2,2-dimethylcyclopentyl)methanamine
SMILESCCC(C)c1ccc(C(N)C2CCCC2(C)C)cc1
InChIInChI=1S/C18H29N/c1-5-13(2)14-8-10-15(11-9-14)17(19)16-7-6-12-18(16,3)4/h8-11,13,16-17H,5-7,12,19H2,1-4H3
InChIKeySFQJRGWRIXSANZ-UHFFFAOYSA-N
XLogP5.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4-butan-2-ylphenyl)-(2,2-dimethylcyclopentyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-tert-butylphenyl)-(2,2-dimethylcyclopentyl)methanamine
CID 107177014
(2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine
CID 107176964
(2,2-dimethylcyclohexyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 107177030
(2,2-dimethylcyclohexyl)-(3-propylphenyl)methanamine
CID 107191314
N-(4-butan-2-ylphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65083892
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
(2,2-dimethylcyclopentyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 107178150
1,1-dimethyl-2-propan-2-ylcyclopentane
CID 23384810
(4-butan-2-ylphenyl)-(1,1-dioxothiolan-3-yl)methanamine
CID 64905563
1-[(4-butan-2-ylphenoxy)methyl]bicyclo[2.2.1]heptane
CID 71175039
1-(2,2-dimethylcyclopentyl)-2-methylpentan-1-amine
CID 107893419
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,2-dimethylcyclopentyl)ethanamine
CID 107189218

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylphenyl)-(2,2-dimethylcyclopentyl)methanamine?
The IUPAC name of (4-butan-2-ylphenyl)-(2,2-dimethylcyclopentyl)methanamine (CID 107177011) is (4-butan-2-ylphenyl)-(2,2-dimethylcyclopentyl)methanamine.
What is the SMILES notation for (4-butan-2-ylphenyl)-(2,2-dimethylcyclopentyl)methanamine?
The canonical SMILES for (4-butan-2-ylphenyl)-(2,2-dimethylcyclopentyl)methanamine is CCC(C)c1ccc(C(N)C2CCCC2(C)C)cc1.
What is the InChIKey of (4-butan-2-ylphenyl)-(2,2-dimethylcyclopentyl)methanamine?
The InChIKey is SFQJRGWRIXSANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-5-13(2)14-8-10-15(11-9-14)17(19)16-7-6-12-18(16,3)4/h8-11,13,16-17H,5-7,12,19H2,1-4H3.
What are the key properties of (4-butan-2-ylphenyl)-(2,2-dimethylcyclopentyl)methanamine?
(4-butan-2-ylphenyl)-(2,2-dimethylcyclopentyl)methanamine has a molecular weight of 259.44 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylphenyl)-(2,2-dimethylcyclopentyl)methanamine is sourced from PubChem (CID 107177011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).