2,3-dimethyl-N-(3-phenylprop-2-enyl)cyclopentan-1-amine

C16H23N — CID 77050165

IUPAC2,3-dimethyl-N-(3-phenylprop-2-enyl)cyclopentan-1-amine
SMILESCC1CCC(NCC=Cc2ccccc2)C1C
InChIInChI=1S/C16H23N/c1-13-10-11-16(14(13)2)17-12-6-9-15-7-4-3-5-8-15/h3-9,13-14,16-17H,10-12H2,1-2H3
InChIKeyOBVBFDOGYKXKMB-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.72
Rot. Bonds4

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

2,3-dimethyl-N-(3-phenylprop-2-enyl)cyclopentan-1-amine (PubChem CID 77050165) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2,3-dimethyl-N-(3-phenylprop-2-enyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(3-phenylprop-2-enyl)cyclopentan-1-amine
PubChem CID77050165
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2,3-dimethyl-N-(3-phenylprop-2-enyl)cyclopentan-1-amine
SMILESCC1CCC(NCC=Cc2ccccc2)C1C
InChIInChI=1S/C16H23N/c1-13-10-11-16(14(13)2)17-12-6-9-15-7-4-3-5-8-15/h3-9,13-14,16-17H,10-12H2,1-2H3
InChIKeyOBVBFDOGYKXKMB-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-(3-phenylprop-2-enyl)cyclopropan-1-amine
CID 76942803
1,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine
CID 115615391
N-[(E)-3-chloroprop-2-enyl]-2,3-dimethylcyclopentan-1-amine
CID 107899997
(3R,4S)-3-methyl-N-[(Z)-3-phenylprop-2-enyl]-1-propan-2-ylsulfonylpiperidin-4-amine
CID 97359461
3-(3-phenylprop-2-enylamino)cyclobutan-1-ol
CID 77109911
(3R,4S)-3-methyl-1-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine
CID 95780734
N-[(E)-3-phenylprop-2-enyl]cyclopent-3-en-1-amine
CID 115696545
cyclopropyl-[3-methyl-4-(3-phenylprop-2-enylamino)piperidin-1-yl]methanone
CID 71927484
benzene;but-1-enylbenzene
CID 157481332
1-methyl-4-[[(E)-3-phenylprop-2-enyl]amino]cyclohexan-1-ol
CID 142884549
(1S)-N-[(E)-3-phenylprop-2-enyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 7202032
N-[(2-bromophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64909294

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(3-phenylprop-2-enyl)cyclopentan-1-amine?
The IUPAC name of 2,3-dimethyl-N-(3-phenylprop-2-enyl)cyclopentan-1-amine (CID 77050165) is 2,3-dimethyl-N-(3-phenylprop-2-enyl)cyclopentan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-(3-phenylprop-2-enyl)cyclopentan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-(3-phenylprop-2-enyl)cyclopentan-1-amine is CC1CCC(NCC=Cc2ccccc2)C1C.
What is the InChIKey of 2,3-dimethyl-N-(3-phenylprop-2-enyl)cyclopentan-1-amine?
The InChIKey is OBVBFDOGYKXKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-13-10-11-16(14(13)2)17-12-6-9-15-7-4-3-5-8-15/h3-9,13-14,16-17H,10-12H2,1-2H3.
What are the key properties of 2,3-dimethyl-N-(3-phenylprop-2-enyl)cyclopentan-1-amine?
2,3-dimethyl-N-(3-phenylprop-2-enyl)cyclopentan-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(3-phenylprop-2-enyl)cyclopentan-1-amine is sourced from PubChem (CID 77050165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).