2-benzyl-N-methyl-N-prop-2-ynylprop-2-en-1-amine

C14H17N — CID 118152238

IUPAC2-benzyl-N-methyl-N-prop-2-ynylprop-2-en-1-amine
SMILESC#CCN(C)CC(=C)Cc1ccccc1
InChIInChI=1S/C14H17N/c1-4-10-15(3)12-13(2)11-14-8-6-5-7-9-14/h1,5-9H,2,10-12H2,3H3
InChIKeyWUQVGQGAQMNDIA-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.35
Rot. Bonds5

About 2-benzyl-N-methyl-N-prop-2-ynylprop-2-en-1-amine

2-benzyl-N-methyl-N-prop-2-ynylprop-2-en-1-amine (PubChem CID 118152238) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-benzyl-N-methyl-N-prop-2-ynylprop-2-en-1-amine.

Molecular Properties

Compound Name2-benzyl-N-methyl-N-prop-2-ynylprop-2-en-1-amine
PubChem CID118152238
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name2-benzyl-N-methyl-N-prop-2-ynylprop-2-en-1-amine
SMILESC#CCN(C)CC(=C)Cc1ccccc1
InChIInChI=1S/C14H17N/c1-4-10-15(3)12-13(2)11-14-8-6-5-7-9-14/h1,5-9H,2,10-12H2,3H3
InChIKeyWUQVGQGAQMNDIA-UHFFFAOYSA-N
XLogP2.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-phenylethyl)prop-2-yn-1-amine
CID 10012396
N-(2-benzylprop-2-enyl)-N-methylacetamide
CID 91265277
2-benzylprop-2-enyl-methyl-prop-2-ynylazanium
CID 144859393
N-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine
CID 118140947
2-methylidenebutylbenzene
CID 10964655
3-benzylbut-3-en-1-ol
CID 22764430
N-[3-[3-[methyl(prop-2-ynyl)amino]prop-1-en-2-yl]phenyl]thiohydroxylamine
CID 144859444
2-[methyl(prop-2-ynyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 91652977
3-[[methyl(prop-2-ynyl)amino]methyl]benzoic acid
CID 167716180
N-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine
CID 13430
(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
CID 87223086
N-(2-benzylprop-2-enyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 154709075

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-methyl-N-prop-2-ynylprop-2-en-1-amine?
The IUPAC name of 2-benzyl-N-methyl-N-prop-2-ynylprop-2-en-1-amine (CID 118152238) is 2-benzyl-N-methyl-N-prop-2-ynylprop-2-en-1-amine.
What is the SMILES notation for 2-benzyl-N-methyl-N-prop-2-ynylprop-2-en-1-amine?
The canonical SMILES for 2-benzyl-N-methyl-N-prop-2-ynylprop-2-en-1-amine is C#CCN(C)CC(=C)Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-methyl-N-prop-2-ynylprop-2-en-1-amine?
The InChIKey is WUQVGQGAQMNDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-4-10-15(3)12-13(2)11-14-8-6-5-7-9-14/h1,5-9H,2,10-12H2,3H3.
What are the key properties of 2-benzyl-N-methyl-N-prop-2-ynylprop-2-en-1-amine?
2-benzyl-N-methyl-N-prop-2-ynylprop-2-en-1-amine has a molecular weight of 199.30 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-methyl-N-prop-2-ynylprop-2-en-1-amine is sourced from PubChem (CID 118152238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).