1-(3-methylphenyl)-N-propylpent-4-yn-2-amine

C15H21N — CID 62235336

IUPAC1-(3-methylphenyl)-N-propylpent-4-yn-2-amine
SMILESC#CCC(Cc1cccc(C)c1)NCCC
InChIInChI=1S/C15H21N/c1-4-7-15(16-10-5-2)12-14-9-6-8-13(3)11-14/h1,6,8-9,11,15-16H,5,7,10,12H2,2-3H3
InChIKeyNWDZOEKLAFEFMI-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.93
Rot. Bonds6

About 1-(3-methylphenyl)-N-propylpent-4-yn-2-amine

1-(3-methylphenyl)-N-propylpent-4-yn-2-amine (PubChem CID 62235336) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-propylpent-4-yn-2-amine.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-propylpent-4-yn-2-amine
PubChem CID62235336
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name1-(3-methylphenyl)-N-propylpent-4-yn-2-amine
SMILESC#CCC(Cc1cccc(C)c1)NCCC
InChIInChI=1S/C15H21N/c1-4-7-15(16-10-5-2)12-14-9-6-8-13(3)11-14/h1,6,8-9,11,15-16H,5,7,10,12H2,2-3H3
InChIKeyNWDZOEKLAFEFMI-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluorophenyl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 63417000
1-(furan-3-yl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 83175808
4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine
CID 63528116
1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 114458153
6,6,6-trifluoro-1-(3-methylphenyl)-N-propylhexan-2-amine
CID 115516541
N-propyl-1-thiophen-3-ylpent-4-yn-2-amine
CID 105077426
1-(3-chlorophenyl)-N-propylhex-5-yn-2-amine
CID 55247955
3-[(3-methylphenyl)methyl]-N-propylpentan-2-amine
CID 54896933
1-(3-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-2-amine
CID 60820403
N-[1-(2,6-difluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63526394
N-[1-(4-ethylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60819207
1-(3-methylphenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine
CID 66087790

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-propylpent-4-yn-2-amine?
The IUPAC name of 1-(3-methylphenyl)-N-propylpent-4-yn-2-amine (CID 62235336) is 1-(3-methylphenyl)-N-propylpent-4-yn-2-amine.
What is the SMILES notation for 1-(3-methylphenyl)-N-propylpent-4-yn-2-amine?
The canonical SMILES for 1-(3-methylphenyl)-N-propylpent-4-yn-2-amine is C#CCC(Cc1cccc(C)c1)NCCC.
What is the InChIKey of 1-(3-methylphenyl)-N-propylpent-4-yn-2-amine?
The InChIKey is NWDZOEKLAFEFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-4-7-15(16-10-5-2)12-14-9-6-8-13(3)11-14/h1,6,8-9,11,15-16H,5,7,10,12H2,2-3H3.
What are the key properties of 1-(3-methylphenyl)-N-propylpent-4-yn-2-amine?
1-(3-methylphenyl)-N-propylpent-4-yn-2-amine has a molecular weight of 215.34 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-propylpent-4-yn-2-amine is sourced from PubChem (CID 62235336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).