3,3-dimethyl-N-[(1R)-1-phenylethyl]cyclopentan-1-amine

C15H23N — CID 81350463

IUPAC3,3-dimethyl-N-[(1R)-1-phenylethyl]cyclopentan-1-amine
SMILESC[C@@H](NC1CCC(C)(C)C1)c1ccccc1
InChIInChI=1S/C15H23N/c1-12(13-7-5-4-6-8-13)16-14-9-10-15(2,3)11-14/h4-8,12,14,16H,9-11H2,1-3H3/t12-,14?/m1/s1
InChIKeyCXYSSSPZZUMZSY-PUODRLBUSA-N
MW217.36 g/mol
LogP3.92
Rot. Bonds3

About 3,3-dimethyl-N-[(1R)-1-phenylethyl]cyclopentan-1-amine

3,3-dimethyl-N-[(1R)-1-phenylethyl]cyclopentan-1-amine (PubChem CID 81350463) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(1R)-1-phenylethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[(1R)-1-phenylethyl]cyclopentan-1-amine
PubChem CID81350463
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3,3-dimethyl-N-[(1R)-1-phenylethyl]cyclopentan-1-amine
SMILESC[C@@H](NC1CCC(C)(C)C1)c1ccccc1
InChIInChI=1S/C15H23N/c1-12(13-7-5-4-6-8-13)16-14-9-10-15(2,3)11-14/h4-8,12,14,16H,9-11H2,1-3H3/t12-,14?/m1/s1
InChIKeyCXYSSSPZZUMZSY-PUODRLBUSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
CID 80705463
N-(2,2-dimethyl-1-phenylpropyl)-3,3-dimethylcyclopentan-1-amine
CID 80705631
N-[1-(4-ethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80705379
N-[1-(2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80692056
(4S)-2,2-dimethyl-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 756075
4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81349448
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3-dimethylcyclohexan-1-amine
CID 81350839
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80706040
N-[1-(1,3-benzothiazol-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 115897391
N-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 81353525
N-(1-phenylethyl)cyclododecanamine
CID 60662638
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80705092

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(1R)-1-phenylethyl]cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[(1R)-1-phenylethyl]cyclopentan-1-amine (CID 81350463) is 3,3-dimethyl-N-[(1R)-1-phenylethyl]cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[(1R)-1-phenylethyl]cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[(1R)-1-phenylethyl]cyclopentan-1-amine is C[C@@H](NC1CCC(C)(C)C1)c1ccccc1.
What is the InChIKey of 3,3-dimethyl-N-[(1R)-1-phenylethyl]cyclopentan-1-amine?
The InChIKey is CXYSSSPZZUMZSY-PUODRLBUSA-N. The full InChI is InChI=1S/C15H23N/c1-12(13-7-5-4-6-8-13)16-14-9-10-15(2,3)11-14/h4-8,12,14,16H,9-11H2,1-3H3/t12-,14?/m1/s1.
What are the key properties of 3,3-dimethyl-N-[(1R)-1-phenylethyl]cyclopentan-1-amine?
3,3-dimethyl-N-[(1R)-1-phenylethyl]cyclopentan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(1R)-1-phenylethyl]cyclopentan-1-amine is sourced from PubChem (CID 81350463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).