(4-tert-butylphenyl)-(2,2-dimethylcyclopentyl)methanamine

C18H29N — CID 107177014

IUPAC(4-tert-butylphenyl)-(2,2-dimethylcyclopentyl)methanamine
SMILESCC(C)(C)c1ccc(C(N)C2CCCC2(C)C)cc1
InChIInChI=1S/C18H29N/c1-17(2,3)14-10-8-13(9-11-14)16(19)15-7-6-12-18(15,4)5/h8-11,15-16H,6-7,12,19H2,1-5H3
InChIKeyOYZXNGFGKJAWEO-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.81
Rot. Bonds2

About (4-tert-butylphenyl)-(2,2-dimethylcyclopentyl)methanamine

(4-tert-butylphenyl)-(2,2-dimethylcyclopentyl)methanamine (PubChem CID 107177014) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(2,2-dimethylcyclopentyl)methanamine.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(2,2-dimethylcyclopentyl)methanamine
PubChem CID107177014
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name(4-tert-butylphenyl)-(2,2-dimethylcyclopentyl)methanamine
SMILESCC(C)(C)c1ccc(C(N)C2CCCC2(C)C)cc1
InChIInChI=1S/C18H29N/c1-17(2,3)14-10-8-13(9-11-14)16(19)15-7-6-12-18(15,4)5/h8-11,15-16H,6-7,12,19H2,1-5H3
InChIKeyOYZXNGFGKJAWEO-UHFFFAOYSA-N
XLogP4.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-butan-2-ylphenyl)-(2,2-dimethylcyclopentyl)methanamine
CID 107177011
(2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine
CID 107176964
(2,2-dimethylcyclohexyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 107177030
1-(2,2-dimethylcyclopentyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]methanamine
CID 107177921
2-(4-tert-butylphenyl)-1-(2,2-dimethylcyclohexyl)ethanol
CID 107192147
(2,2-dimethylcyclopentyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 107178150
(3-chloro-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107177072
6-[amino-(2,2-dimethylcyclopentyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 107178147
1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine
CID 43110325
(4-cyclohexylphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107000898
(2,2-dimethylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 107188677
cyclopropyl-(2,2-dimethylcyclopentyl)methanamine
CID 107189375

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(2,2-dimethylcyclopentyl)methanamine?
The IUPAC name of (4-tert-butylphenyl)-(2,2-dimethylcyclopentyl)methanamine (CID 107177014) is (4-tert-butylphenyl)-(2,2-dimethylcyclopentyl)methanamine.
What is the SMILES notation for (4-tert-butylphenyl)-(2,2-dimethylcyclopentyl)methanamine?
The canonical SMILES for (4-tert-butylphenyl)-(2,2-dimethylcyclopentyl)methanamine is CC(C)(C)c1ccc(C(N)C2CCCC2(C)C)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(2,2-dimethylcyclopentyl)methanamine?
The InChIKey is OYZXNGFGKJAWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-17(2,3)14-10-8-13(9-11-14)16(19)15-7-6-12-18(15,4)5/h8-11,15-16H,6-7,12,19H2,1-5H3.
What are the key properties of (4-tert-butylphenyl)-(2,2-dimethylcyclopentyl)methanamine?
(4-tert-butylphenyl)-(2,2-dimethylcyclopentyl)methanamine has a molecular weight of 259.44 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(2,2-dimethylcyclopentyl)methanamine is sourced from PubChem (CID 107177014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).