N-[4-(3-methylphenyl)butan-2-yl]cyclopent-3-en-1-amine

C16H23N — CID 115728445

IUPACN-[4-(3-methylphenyl)butan-2-yl]cyclopent-3-en-1-amine
SMILESCc1cccc(CCC(C)NC2CC=CC2)c1
InChIInChI=1S/C16H23N/c1-13-6-5-7-15(12-13)11-10-14(2)17-16-8-3-4-9-16/h3-7,12,14,16-17H,8-11H2,1-2H3
InChIKeyLNSNDLNOGCHOES-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.62
Rot. Bonds5

About N-[4-(3-methylphenyl)butan-2-yl]cyclopent-3-en-1-amine

N-[4-(3-methylphenyl)butan-2-yl]cyclopent-3-en-1-amine (PubChem CID 115728445) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-[4-(3-methylphenyl)butan-2-yl]cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-[4-(3-methylphenyl)butan-2-yl]cyclopent-3-en-1-amine
PubChem CID115728445
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-[4-(3-methylphenyl)butan-2-yl]cyclopent-3-en-1-amine
SMILESCc1cccc(CCC(C)NC2CC=CC2)c1
InChIInChI=1S/C16H23N/c1-13-6-5-7-15(12-13)11-10-14(2)17-16-8-3-4-9-16/h3-7,12,14,16-17H,8-11H2,1-2H3
InChIKeyLNSNDLNOGCHOES-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine
CID 64742986
2-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclopropan-1-amine
CID 103783805
2,3-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine
CID 63420923
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
N-(2-cyclopropylpropyl)-4-(3-methylphenyl)butan-2-amine
CID 113475005
(2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol
CID 114987003
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
N-cyclopentyloxy-4-(3-methylphenyl)butan-2-amine
CID 83229577
2,6-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]piperidin-1-amine
CID 83010343
4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
CID 63420838
4-(3-methylphenyl)-N-(1-phenylpropan-2-yl)butan-2-amine
CID 63462088
3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclobutan-1-ol
CID 66004794

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylphenyl)butan-2-yl]cyclopent-3-en-1-amine?
The IUPAC name of N-[4-(3-methylphenyl)butan-2-yl]cyclopent-3-en-1-amine (CID 115728445) is N-[4-(3-methylphenyl)butan-2-yl]cyclopent-3-en-1-amine.
What is the SMILES notation for N-[4-(3-methylphenyl)butan-2-yl]cyclopent-3-en-1-amine?
The canonical SMILES for N-[4-(3-methylphenyl)butan-2-yl]cyclopent-3-en-1-amine is Cc1cccc(CCC(C)NC2CC=CC2)c1.
What is the InChIKey of N-[4-(3-methylphenyl)butan-2-yl]cyclopent-3-en-1-amine?
The InChIKey is LNSNDLNOGCHOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-13-6-5-7-15(12-13)11-10-14(2)17-16-8-3-4-9-16/h3-7,12,14,16-17H,8-11H2,1-2H3.
What are the key properties of N-[4-(3-methylphenyl)butan-2-yl]cyclopent-3-en-1-amine?
N-[4-(3-methylphenyl)butan-2-yl]cyclopent-3-en-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylphenyl)butan-2-yl]cyclopent-3-en-1-amine is sourced from PubChem (CID 115728445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).