N-methyl-1-(3-methylphenyl)hex-4-yn-1-amine

C14H19N — CID 104804760

IUPACN-methyl-1-(3-methylphenyl)hex-4-yn-1-amine
SMILESCC#CCCC(NC)c1cccc(C)c1
InChIInChI=1S/C14H19N/c1-4-5-6-10-14(15-3)13-9-7-8-12(2)11-13/h7-9,11,14-15H,6,10H2,1-3H3
InChIKeyRPQQNDZYKOQSBE-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.06
Rot. Bonds4

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

N-methyl-1-(3-methylphenyl)hex-4-yn-1-amine (PubChem CID 104804760) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is N-methyl-1-(3-methylphenyl)hex-4-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methylphenyl)hex-4-yn-1-amine
PubChem CID104804760
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC NameN-methyl-1-(3-methylphenyl)hex-4-yn-1-amine
SMILESCC#CCCC(NC)c1cccc(C)c1
InChIInChI=1S/C14H19N/c1-4-5-6-10-14(15-3)13-9-7-8-12(2)11-13/h7-9,11,14-15H,6,10H2,1-3H3
InChIKeyRPQQNDZYKOQSBE-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.06
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-methyl-1-(2-methyl-4-pyridinyl)hex-4-yn-1-amine
CID 106755836
N-methyl-1-(3-methylphenyl)-3-phenylpropan-1-amine
CID 60818529
1-(3,4-dichlorophenyl)-N-methylhex-4-yn-1-amine
CID 104807089
N-methyl-1-(3-methylphenyl)decan-1-amine
CID 55186614
methyl 4-(methylamino)-4-(3-methylphenyl)butanoate
CID 116955565
1-(4-ethylphenyl)-N-methylhex-4-yn-1-amine
CID 104804645
4-(methylamino)-4-(3-methylphenyl)butan-2-one
CID 116956083
1-(3-fluoro-4-methoxyphenyl)-N-methylhex-4-yn-1-amine
CID 105037077
N-methyl-1-(3-methylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105090642
3-(4-methoxyphenyl)-N-methyl-1-(3-methylphenyl)propan-1-amine
CID 65444758
1-(3-bromophenyl)hex-4-ynylhydrazine
CID 105198062
N-ethyl-1-(3-iodophenyl)hex-4-yn-1-amine
CID 105037510

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylphenyl)hex-4-yn-1-amine?
The IUPAC name of N-methyl-1-(3-methylphenyl)hex-4-yn-1-amine (CID 104804760) is N-methyl-1-(3-methylphenyl)hex-4-yn-1-amine.
What is the SMILES notation for N-methyl-1-(3-methylphenyl)hex-4-yn-1-amine?
The canonical SMILES for N-methyl-1-(3-methylphenyl)hex-4-yn-1-amine is CC#CCCC(NC)c1cccc(C)c1.
What is the InChIKey of N-methyl-1-(3-methylphenyl)hex-4-yn-1-amine?
The InChIKey is RPQQNDZYKOQSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-4-5-6-10-14(15-3)13-9-7-8-12(2)11-13/h7-9,11,14-15H,6,10H2,1-3H3.
What are the key properties of N-methyl-1-(3-methylphenyl)hex-4-yn-1-amine?
N-methyl-1-(3-methylphenyl)hex-4-yn-1-amine has a molecular weight of 201.31 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylphenyl)hex-4-yn-1-amine is sourced from PubChem (CID 104804760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).