N-methyl-1-(2,4,6-trimethylphenyl)hex-5-yn-1-amine

C16H23N — CID 105033708

IUPACN-methyl-1-(2,4,6-trimethylphenyl)hex-5-yn-1-amine
SMILESC#CCCCC(NC)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H23N/c1-6-7-8-9-15(17-5)16-13(3)10-12(2)11-14(16)4/h1,10-11,15,17H,7-9H2,2-5H3
InChIKeyLBKOPBZDCCOYCG-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.68
Rot. Bonds5

About N-methyl-1-(2,4,6-trimethylphenyl)hex-5-yn-1-amine

N-methyl-1-(2,4,6-trimethylphenyl)hex-5-yn-1-amine (PubChem CID 105033708) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-methyl-1-(2,4,6-trimethylphenyl)hex-5-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2,4,6-trimethylphenyl)hex-5-yn-1-amine
PubChem CID105033708
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-methyl-1-(2,4,6-trimethylphenyl)hex-5-yn-1-amine
SMILESC#CCCCC(NC)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H23N/c1-6-7-8-9-15(17-5)16-13(3)10-12(2)11-14(16)4/h1,10-11,15,17H,7-9H2,2-5H3
InChIKeyLBKOPBZDCCOYCG-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-5-methylphenyl)-N-methylhex-5-yn-1-amine
CID 105034185
N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 43484222
1-(4-bromo-2-methylphenyl)-N-methylhex-5-yn-1-amine
CID 105033715
3-ethyl-N-methyl-1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 115805825
1-(3,5-dimethyl-2-pyridinyl)hex-5-ynylhydrazine
CID 105266423
1-(5-bromothiophen-3-yl)-N-methylhex-5-yn-1-amine
CID 105179686
1-(3-iodophenyl)-N-methylhex-5-yn-1-amine
CID 105034072
N-methyl-2-(2-methylpropylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 64610898
3-cyclohexyl-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 43484245
1-(1,3-dimethylpyrazol-4-yl)-N-methylhex-5-yn-1-amine
CID 102804405
1-(1,5-dimethylpyrazol-4-yl)-N-methylhex-5-yn-1-amine
CID 105179535
1-(3-bromo-5-methylphenyl)hex-5-ynylhydrazine
CID 105333345

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,4,6-trimethylphenyl)hex-5-yn-1-amine?
The IUPAC name of N-methyl-1-(2,4,6-trimethylphenyl)hex-5-yn-1-amine (CID 105033708) is N-methyl-1-(2,4,6-trimethylphenyl)hex-5-yn-1-amine.
What is the SMILES notation for N-methyl-1-(2,4,6-trimethylphenyl)hex-5-yn-1-amine?
The canonical SMILES for N-methyl-1-(2,4,6-trimethylphenyl)hex-5-yn-1-amine is C#CCCCC(NC)c1c(C)cc(C)cc1C.
What is the InChIKey of N-methyl-1-(2,4,6-trimethylphenyl)hex-5-yn-1-amine?
The InChIKey is LBKOPBZDCCOYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-6-7-8-9-15(17-5)16-13(3)10-12(2)11-14(16)4/h1,10-11,15,17H,7-9H2,2-5H3.
What are the key properties of N-methyl-1-(2,4,6-trimethylphenyl)hex-5-yn-1-amine?
N-methyl-1-(2,4,6-trimethylphenyl)hex-5-yn-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,4,6-trimethylphenyl)hex-5-yn-1-amine is sourced from PubChem (CID 105033708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).