1-(4-ethylphenyl)-N-methylhex-4-yn-1-amine

C15H21N — CID 104804645

IUPAC1-(4-ethylphenyl)-N-methylhex-4-yn-1-amine
SMILESCC#CCCC(NC)c1ccc(CC)cc1
InChIInChI=1S/C15H21N/c1-4-6-7-8-15(16-3)14-11-9-13(5-2)10-12-14/h9-12,15-16H,5,7-8H2,1-3H3
InChIKeyIHTPCYMQGKMIMP-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.31
Rot. Bonds5

About 1-(4-ethylphenyl)-N-methylhex-4-yn-1-amine

1-(4-ethylphenyl)-N-methylhex-4-yn-1-amine (PubChem CID 104804645) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-methylhex-4-yn-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-methylhex-4-yn-1-amine
PubChem CID104804645
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name1-(4-ethylphenyl)-N-methylhex-4-yn-1-amine
SMILESCC#CCCC(NC)c1ccc(CC)cc1
InChIInChI=1S/C15H21N/c1-4-6-7-8-15(16-3)14-11-9-13(5-2)10-12-14/h9-12,15-16H,5,7-8H2,1-3H3
InChIKeyIHTPCYMQGKMIMP-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
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-(4-butoxyphenyl)-N-methylhex-4-yn-1-amine
CID 105181567
1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine
CID 83161767
1-(3,4-dichlorophenyl)-N-methylhex-4-yn-1-amine
CID 104807089
2-chloro-1-(4-ethylphenyl)-N-methylethanamine
CID 116952559
1-(4-ethylphenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950168
4-(4-ethylphenyl)-4-(methylamino)butanoic acid
CID 112517844
N-methyl-1-(3-methylphenyl)hex-4-yn-1-amine
CID 104804760
3-cyclopentyl-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 43484696
1-(3-fluoro-4-methoxyphenyl)-N-methylhex-4-yn-1-amine
CID 105037077
N-methyl-1-(2-methyl-4-pyridinyl)hex-4-yn-1-amine
CID 106755836
1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine
CID 62543737
1-(4-ethylphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 116954950

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-methylhex-4-yn-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-N-methylhex-4-yn-1-amine (CID 104804645) is 1-(4-ethylphenyl)-N-methylhex-4-yn-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-methylhex-4-yn-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N-methylhex-4-yn-1-amine is CC#CCCC(NC)c1ccc(CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-methylhex-4-yn-1-amine?
The InChIKey is IHTPCYMQGKMIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-4-6-7-8-15(16-3)14-11-9-13(5-2)10-12-14/h9-12,15-16H,5,7-8H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N-methylhex-4-yn-1-amine?
1-(4-ethylphenyl)-N-methylhex-4-yn-1-amine has a molecular weight of 215.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-methylhex-4-yn-1-amine is sourced from PubChem (CID 104804645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).