N-methyl-1-(4-methylphenyl)hept-5-yn-3-amine

C15H21N — CID 105111911

IUPACN-methyl-1-(4-methylphenyl)hept-5-yn-3-amine
SMILESCC#CCC(CCc1ccc(C)cc1)NC
InChIInChI=1S/C15H21N/c1-4-5-6-15(16-3)12-11-14-9-7-13(2)8-10-14/h7-10,15-16H,6,11-12H2,1-3H3
InChIKeyOVZRKKJKOHLZSI-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.93
Rot. Bonds5

About N-methyl-1-(4-methylphenyl)hept-5-yn-3-amine

N-methyl-1-(4-methylphenyl)hept-5-yn-3-amine (PubChem CID 105111911) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)hept-5-yn-3-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)hept-5-yn-3-amine
PubChem CID105111911
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-methyl-1-(4-methylphenyl)hept-5-yn-3-amine
SMILESCC#CCC(CCc1ccc(C)cc1)NC
InChIInChI=1S/C15H21N/c1-4-5-6-15(16-3)12-11-14-9-7-13(2)8-10-14/h7-10,15-16H,6,11-12H2,1-3H3
InChIKeyOVZRKKJKOHLZSI-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

N-ethyl-1-(4-methylphenyl)hept-5-yn-3-amine
CID 105112477
7,7,7-trifluoro-N-methyl-1-(4-methylphenyl)heptan-3-amine
CID 105174240
N-methyl-1-phenylhex-4-yn-2-amine
CID 62310382
N-methyl-1-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-amine
CID 103030182
N-methyl-1-pyridin-4-ylhex-4-yn-2-amine
CID 62551577
N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
N-methyldec-2-yn-5-amine
CID 115819919
1-(4-methylphenyl)pent-3-yn-1-ol
CID 15001308
[1-(4-methylphenyl)-4-phenylbutan-2-yl]hydrazine
CID 105205750
N-methyl-1-(1-methylimidazol-2-yl)-4-(4-methylphenyl)butan-2-amine
CID 105167031
1-fluoro-N-methoxy-4-(4-methylphenyl)butan-2-amine
CID 89447620
1-(4-methylphenyl)-N-propylpentan-3-amine
CID 60994999

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)hept-5-yn-3-amine?
The IUPAC name of N-methyl-1-(4-methylphenyl)hept-5-yn-3-amine (CID 105111911) is N-methyl-1-(4-methylphenyl)hept-5-yn-3-amine.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)hept-5-yn-3-amine?
The canonical SMILES for N-methyl-1-(4-methylphenyl)hept-5-yn-3-amine is CC#CCC(CCc1ccc(C)cc1)NC.
What is the InChIKey of N-methyl-1-(4-methylphenyl)hept-5-yn-3-amine?
The InChIKey is OVZRKKJKOHLZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-4-5-6-15(16-3)12-11-14-9-7-13(2)8-10-14/h7-10,15-16H,6,11-12H2,1-3H3.
What are the key properties of N-methyl-1-(4-methylphenyl)hept-5-yn-3-amine?
N-methyl-1-(4-methylphenyl)hept-5-yn-3-amine has a molecular weight of 215.34 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)hept-5-yn-3-amine is sourced from PubChem (CID 105111911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).