5-(3-methylphenyl)-N-propylpent-1-en-3-amine

C15H23N — CID 105161314

IUPAC5-(3-methylphenyl)-N-propylpent-1-en-3-amine
SMILESC=CC(CCc1cccc(C)c1)NCCC
InChIInChI=1S/C15H23N/c1-4-11-16-15(5-2)10-9-14-8-6-7-13(3)12-14/h5-8,12,15-16H,2,4,9-11H2,1,3H3
InChIKeyMZELFVBGUSDIJQ-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.48
Rot. Bonds7

About 5-(3-methylphenyl)-N-propylpent-1-en-3-amine

5-(3-methylphenyl)-N-propylpent-1-en-3-amine (PubChem CID 105161314) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 5-(3-methylphenyl)-N-propylpent-1-en-3-amine.

Molecular Properties

Compound Name5-(3-methylphenyl)-N-propylpent-1-en-3-amine
PubChem CID105161314
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name5-(3-methylphenyl)-N-propylpent-1-en-3-amine
SMILESC=CC(CCc1cccc(C)c1)NCCC
InChIInChI=1S/C15H23N/c1-4-11-16-15(5-2)10-9-14-8-6-7-13(3)12-14/h5-8,12,15-16H,2,4,9-11H2,1,3H3
InChIKeyMZELFVBGUSDIJQ-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.48
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

5-(3-methylphenyl)pent-1-en-3-ylhydrazine
CID 105318126
N-propyl-5-pyridin-3-ylpent-1-en-3-amine
CID 105161313
4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine
CID 63528116
N-[2-(3-methylphenyl)ethyl]but-3-en-2-amine
CID 107906880
6,6-dimethyl-1-(3-methylphenyl)-N-propylheptan-3-amine
CID 105140177
N-ethyl-1-(3-methylphenyl)hex-5-en-3-amine
CID 105108675
3-(3-methylphenyl)-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine
CID 105162164
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
1-(5-chlorothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine
CID 105173533
1-(3-bromothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine
CID 105173120
3-[(3-methylphenyl)methyl]-N-propylpentan-2-amine
CID 54896933
(E)-N-ethenyl-8-(3-methylphenyl)oct-5-en-4-amine
CID 142208632

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-N-propylpent-1-en-3-amine?
The IUPAC name of 5-(3-methylphenyl)-N-propylpent-1-en-3-amine (CID 105161314) is 5-(3-methylphenyl)-N-propylpent-1-en-3-amine.
What is the SMILES notation for 5-(3-methylphenyl)-N-propylpent-1-en-3-amine?
The canonical SMILES for 5-(3-methylphenyl)-N-propylpent-1-en-3-amine is C=CC(CCc1cccc(C)c1)NCCC.
What is the InChIKey of 5-(3-methylphenyl)-N-propylpent-1-en-3-amine?
The InChIKey is MZELFVBGUSDIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-11-16-15(5-2)10-9-14-8-6-7-13(3)12-14/h5-8,12,15-16H,2,4,9-11H2,1,3H3.
What are the key properties of 5-(3-methylphenyl)-N-propylpent-1-en-3-amine?
5-(3-methylphenyl)-N-propylpent-1-en-3-amine has a molecular weight of 217.36 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-N-propylpent-1-en-3-amine is sourced from PubChem (CID 105161314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).