N-methyl-N-(2-phenylprop-2-enyl)but-3-yn-2-amine

C14H17N — CID 118140829

IUPACN-methyl-N-(2-phenylprop-2-enyl)but-3-yn-2-amine
SMILESC#CC(C)N(C)CC(=C)c1ccccc1
InChIInChI=1S/C14H17N/c1-5-13(3)15(4)11-12(2)14-9-7-6-8-10-14/h1,6-10,13H,2,11H2,3-4H3
InChIKeyVHFMVSDOKRRJOF-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.65
Rot. Bonds4

About N-methyl-N-(2-phenylprop-2-enyl)but-3-yn-2-amine

N-methyl-N-(2-phenylprop-2-enyl)but-3-yn-2-amine (PubChem CID 118140829) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is N-methyl-N-(2-phenylprop-2-enyl)but-3-yn-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-phenylprop-2-enyl)but-3-yn-2-amine
PubChem CID118140829
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC NameN-methyl-N-(2-phenylprop-2-enyl)but-3-yn-2-amine
SMILESC#CC(C)N(C)CC(=C)c1ccccc1
InChIInChI=1S/C14H17N/c1-5-13(3)15(4)11-12(2)14-9-7-6-8-10-14/h1,6-10,13H,2,11H2,3-4H3
InChIKeyVHFMVSDOKRRJOF-UHFFFAOYSA-N
XLogP2.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 14958608
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2-phenyl-N,N-bis(prop-2-enyl)pent-1-en-4-yn-3-amine
CID 88718596
1,1,1-trifluoro-N,N-dimethyl-4-phenylpent-4-en-2-amine
CID 10728924
1-N,1-N,3-trimethyl-2-N-(2-phenylprop-2-enyl)butane-1,2-diamine
CID 113288131
pent-1-en-2-ylbenzene
CID 521761
5-methylhept-1-en-2-ylbenzene
CID 90870775
N-methyl-N-(3-phenylbut-3-enyl)aniline
CID 138977624
1-amino-3-phenylbut-3-ene-1-thiol
CID 155217883
N-(2-phenylprop-2-enyl)butan-2-amine
CID 81332865
18-methylnonadec-1-en-2-ylbenzene;12-methyltridec-1-en-2-ylbenzene
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CID 129060444

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylprop-2-enyl)but-3-yn-2-amine?
The IUPAC name of N-methyl-N-(2-phenylprop-2-enyl)but-3-yn-2-amine (CID 118140829) is N-methyl-N-(2-phenylprop-2-enyl)but-3-yn-2-amine.
What is the SMILES notation for N-methyl-N-(2-phenylprop-2-enyl)but-3-yn-2-amine?
The canonical SMILES for N-methyl-N-(2-phenylprop-2-enyl)but-3-yn-2-amine is C#CC(C)N(C)CC(=C)c1ccccc1.
What is the InChIKey of N-methyl-N-(2-phenylprop-2-enyl)but-3-yn-2-amine?
The InChIKey is VHFMVSDOKRRJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-5-13(3)15(4)11-12(2)14-9-7-6-8-10-14/h1,6-10,13H,2,11H2,3-4H3.
What are the key properties of N-methyl-N-(2-phenylprop-2-enyl)but-3-yn-2-amine?
N-methyl-N-(2-phenylprop-2-enyl)but-3-yn-2-amine has a molecular weight of 199.30 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylprop-2-enyl)but-3-yn-2-amine is sourced from PubChem (CID 118140829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).