2,2-dimethyl-N-(3-phenylpropyl)cyclopentan-1-amine

C16H25N — CID 79864655

IUPAC2,2-dimethyl-N-(3-phenylpropyl)cyclopentan-1-amine
SMILESCC1(C)CCCC1NCCCc1ccccc1
InChIInChI=1S/C16H25N/c1-16(2)12-6-11-15(16)17-13-7-10-14-8-4-3-5-9-14/h3-5,8-9,15,17H,6-7,10-13H2,1-2H3
InChIKeyAXOINEXUPZJHJD-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.79
Rot. Bonds5

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

2,2-dimethyl-N-(3-phenylpropyl)cyclopentan-1-amine (PubChem CID 79864655) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-phenylpropyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-phenylpropyl)cyclopentan-1-amine
PubChem CID79864655
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2,2-dimethyl-N-(3-phenylpropyl)cyclopentan-1-amine
SMILESCC1(C)CCCC1NCCCc1ccccc1
InChIInChI=1S/C16H25N/c1-16(2)12-6-11-15(16)17-13-7-10-14-8-4-3-5-9-14/h3-5,8-9,15,17H,6-7,10-13H2,1-2H3
InChIKeyAXOINEXUPZJHJD-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-3-(3-phenylpropylamino)cyclobutan-1-ol
CID 112633261
3-[(2,2-dimethylcyclopentyl)amino]propan-1-ol
CID 79865194
N-benzyl-2-[(2,2-dimethylcyclopentyl)amino]acetamide
CID 79859713
N-(3-phenylpropyl)cyclododecanamine
CID 83958228
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(3-phenylpropyl)urea
CID 111503849
2,2-dimethyl-N-(2-methyl-2-phenylpropyl)cyclopentan-1-amine
CID 79859879
2,4,4-trimethyl-N-(3-phenylpropyl)cyclohexan-1-amine
CID 81320617
3-ethoxy-N-(3-phenylpropyl)spiro[3.4]octan-1-amine
CID 64864412
2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopentan-1-amine
CID 107876254
2-(3-phenylpropylamino)cyclohexan-1-ol
CID 45358268
N-[(4-ethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861395
[3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol
CID 55086844

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-phenylpropyl)cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(3-phenylpropyl)cyclopentan-1-amine (CID 79864655) is 2,2-dimethyl-N-(3-phenylpropyl)cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(3-phenylpropyl)cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(3-phenylpropyl)cyclopentan-1-amine is CC1(C)CCCC1NCCCc1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-(3-phenylpropyl)cyclopentan-1-amine?
The InChIKey is AXOINEXUPZJHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-16(2)12-6-11-15(16)17-13-7-10-14-8-4-3-5-9-14/h3-5,8-9,15,17H,6-7,10-13H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-(3-phenylpropyl)cyclopentan-1-amine?
2,2-dimethyl-N-(3-phenylpropyl)cyclopentan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.79, 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-phenylpropyl)cyclopentan-1-amine is sourced from PubChem (CID 79864655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).