2,2-dimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine

C18H29N — CID 79860147

IUPAC2,2-dimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine
SMILESCC(C)CC(NC1CCCC1(C)C)c1ccccc1
InChIInChI=1S/C18H29N/c1-14(2)13-16(15-9-6-5-7-10-15)19-17-11-8-12-18(17,3)4/h5-7,9-10,14,16-17,19H,8,11-13H2,1-4H3
InChIKeyLDECIWQXRGDLGR-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.94
Rot. Bonds5

About 2,2-dimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine

2,2-dimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine (PubChem CID 79860147) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine
PubChem CID79860147
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2,2-dimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine
SMILESCC(C)CC(NC1CCCC1(C)C)c1ccccc1
InChIInChI=1S/C18H29N/c1-14(2)13-16(15-9-6-5-7-10-15)19-17-11-8-12-18(17,3)4/h5-7,9-10,14,16-17,19H,8,11-13H2,1-4H3
InChIKeyLDECIWQXRGDLGR-UHFFFAOYSA-N
XLogP4.94
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 ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[(2,2-dimethylcyclohexyl)amino]-2-phenylethanol
CID 107862211
3-[(2,2-dimethylcyclopentyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 79878175
4-[1-[(2,2-dimethylcyclopentyl)amino]propyl]phenol
CID 79855934
2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopentan-1-amine
CID 107876254
4-N-(3-methyl-1-phenylbutyl)cyclohexane-1,4-diamine
CID 62313676
2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclopentan-1-amine
CID 79859844
2,4,4-trimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine
CID 106661989
1-methyl-N-(3-methyl-1-phenylbutyl)piperidin-4-amine
CID 43216052
N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 81379211
3-[(2,2-dimethylcyclopentyl)amino]-2-phenylpropanoic acid
CID 79861761
1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 79870746
N-(3-methyl-1-phenylbutyl)-2-methylsulfonylcyclopentan-1-amine
CID 65044520

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine (CID 79860147) is 2,2-dimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine is CC(C)CC(NC1CCCC1(C)C)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine?
The InChIKey is LDECIWQXRGDLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14(2)13-16(15-9-6-5-7-10-15)19-17-11-8-12-18(17,3)4/h5-7,9-10,14,16-17,19H,8,11-13H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine?
2,2-dimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine is sourced from PubChem (CID 79860147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).