(1S)-2-[2-(5-methyl-2-prop-1-en-2-ylphenyl)ethyl]cyclopentan-1-amine

C17H25N — CID 121314220

IUPAC(1S)-2-[2-(5-methyl-2-prop-1-en-2-ylphenyl)ethyl]cyclopentan-1-amine
SMILESC=C(C)c1ccc(C)cc1CCC1CCC[C@@H]1N
InChIInChI=1S/C17H25N/c1-12(2)16-10-7-13(3)11-15(16)9-8-14-5-4-6-17(14)18/h7,10-11,14,17H,1,4-6,8-9,18H2,2-3H3/t14?,17-/m0/s1
InChIKeyIOGGTTBTXXNGLE-JRZJBTRGSA-N
MW243.39 g/mol
LogP4.09
Rot. Bonds4

About (1S)-2-[2-(5-methyl-2-prop-1-en-2-ylphenyl)ethyl]cyclopentan-1-amine

(1S)-2-[2-(5-methyl-2-prop-1-en-2-ylphenyl)ethyl]cyclopentan-1-amine (PubChem CID 121314220) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is (1S)-2-[2-(5-methyl-2-prop-1-en-2-ylphenyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name(1S)-2-[2-(5-methyl-2-prop-1-en-2-ylphenyl)ethyl]cyclopentan-1-amine
PubChem CID121314220
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name(1S)-2-[2-(5-methyl-2-prop-1-en-2-ylphenyl)ethyl]cyclopentan-1-amine
SMILESC=C(C)c1ccc(C)cc1CCC1CCC[C@@H]1N
InChIInChI=1S/C17H25N/c1-12(2)16-10-7-13(3)11-15(16)9-8-14-5-4-6-17(14)18/h7,10-11,14,17H,1,4-6,8-9,18H2,2-3H3/t14?,17-/m0/s1
InChIKeyIOGGTTBTXXNGLE-JRZJBTRGSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-[2-[(2S)-2-aminocyclopentyl]ethyl]-4-methylphenyl]ethanone
CID 121314235
2-(5-methyl-2-prop-1-en-2-ylphenyl)ethanamine
CID 174410424
ethane;2-(methoxymethyl)-4-methyl-1-prop-1-en-2-ylbenzene
CID 167502985
ethane;5-methyl-2-prop-1-en-2-ylaniline
CID 142496238
2-[2-(2,4-dimethylphenyl)sulfinylethyl]cyclopentan-1-amine
CID 79582053
cis-(1S,2R)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754802
cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754803
2-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
CID 55136665
2-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine
CID 63061613
N-[2-(2-aminocyclopentyl)ethyl]-N,3,5-trimethylaniline
CID 79565816
2-(2-cyclohexylethyl)-1,4-dimethylbenzene
CID 59184196
2-(2-carbamoyl-5-methylphenyl)-N,N-dimethylethanamine oxide
CID 142839862

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[2-(5-methyl-2-prop-1-en-2-ylphenyl)ethyl]cyclopentan-1-amine?
The IUPAC name of (1S)-2-[2-(5-methyl-2-prop-1-en-2-ylphenyl)ethyl]cyclopentan-1-amine (CID 121314220) is (1S)-2-[2-(5-methyl-2-prop-1-en-2-ylphenyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for (1S)-2-[2-(5-methyl-2-prop-1-en-2-ylphenyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for (1S)-2-[2-(5-methyl-2-prop-1-en-2-ylphenyl)ethyl]cyclopentan-1-amine is C=C(C)c1ccc(C)cc1CCC1CCC[C@@H]1N.
What is the InChIKey of (1S)-2-[2-(5-methyl-2-prop-1-en-2-ylphenyl)ethyl]cyclopentan-1-amine?
The InChIKey is IOGGTTBTXXNGLE-JRZJBTRGSA-N. The full InChI is InChI=1S/C17H25N/c1-12(2)16-10-7-13(3)11-15(16)9-8-14-5-4-6-17(14)18/h7,10-11,14,17H,1,4-6,8-9,18H2,2-3H3/t14?,17-/m0/s1.
What are the key properties of (1S)-2-[2-(5-methyl-2-prop-1-en-2-ylphenyl)ethyl]cyclopentan-1-amine?
(1S)-2-[2-(5-methyl-2-prop-1-en-2-ylphenyl)ethyl]cyclopentan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[2-(5-methyl-2-prop-1-en-2-ylphenyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 121314220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).