N-methyl-3-phenylprop-1-yn-1-amine

C10H11N — CID 163624738

IUPACN-methyl-3-phenylprop-1-yn-1-amine
SMILESCNC#CCc1ccccc1
InChIInChI=1S/C10H11N/c1-11-9-5-8-10-6-3-2-4-7-10/h2-4,6-7,11H,8H2,1H3
InChIKeyHRCFBBHSIKLYGU-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.41
Rot. Bonds1

About N-methyl-3-phenylprop-1-yn-1-amine

N-methyl-3-phenylprop-1-yn-1-amine (PubChem CID 163624738) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is N-methyl-3-phenylprop-1-yn-1-amine.

Molecular Properties

Compound NameN-methyl-3-phenylprop-1-yn-1-amine
PubChem CID163624738
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC NameN-methyl-3-phenylprop-1-yn-1-amine
SMILESCNC#CCc1ccccc1
InChIInChI=1S/C10H11N/c1-11-9-5-8-10-6-3-2-4-7-10/h2-4,6-7,11H,8H2,1H3
InChIKeyHRCFBBHSIKLYGU-UHFFFAOYSA-N
XLogP1.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-phenylprop-1-ynylsulfanyl)prop-2-ynylbenzene
CID 54414267
4-phenylbut-2-ynoic acid
CID 22023702
3-cyclopropylprop-2-ynylbenzene
CID 121008116
hepta-2,4,6-triynylbenzene
CID 53432367
CID 177494540
CID 177494540
2-phenylethylidynerhenium
CID 15769334
ethylbenzene;N-methylmethanamine
CID 19063869
benzylbenzene;N,N'-dimethylmethanediimine;ethane
CID 91400780
phenyl(113C)methylbenzene
CID 11194569
1-ethynyl-2-(3-phenylprop-1-ynyl)benzene
CID 132546495
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenylprop-1-yn-1-amine?
The IUPAC name of N-methyl-3-phenylprop-1-yn-1-amine (CID 163624738) is N-methyl-3-phenylprop-1-yn-1-amine.
What is the SMILES notation for N-methyl-3-phenylprop-1-yn-1-amine?
The canonical SMILES for N-methyl-3-phenylprop-1-yn-1-amine is CNC#CCc1ccccc1.
What is the InChIKey of N-methyl-3-phenylprop-1-yn-1-amine?
The InChIKey is HRCFBBHSIKLYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-11-9-5-8-10-6-3-2-4-7-10/h2-4,6-7,11H,8H2,1H3.
What are the key properties of N-methyl-3-phenylprop-1-yn-1-amine?
N-methyl-3-phenylprop-1-yn-1-amine has a molecular weight of 145.20 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenylprop-1-yn-1-amine is sourced from PubChem (CID 163624738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).