3-cyclopropyl-N-(naphthalen-1-ylmethyl)-1-phenylprop-2-yn-1-imine

C23H19N — CID 57408591

IUPAC3-cyclopropyl-N-(naphthalen-1-ylmethyl)-1-phenylprop-2-yn-1-imine
SMILESC(#CC1CC1)/C(=N\Cc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C23H19N/c1-2-8-20(9-3-1)23(16-15-18-13-14-18)24-17-21-11-6-10-19-7-4-5-12-22(19)21/h1-12,18H,13-14,17H2/b24-23+
InChIKeyCDCZEQGJYUSQHE-WCWDXBQESA-N
MW309.41 g/mol
LogP5.24
Rot. Bonds3

About 3-cyclopropyl-N-(naphthalen-1-ylmethyl)-1-phenylprop-2-yn-1-imine

3-cyclopropyl-N-(naphthalen-1-ylmethyl)-1-phenylprop-2-yn-1-imine (PubChem CID 57408591) has the molecular formula C23H19N and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-cyclopropyl-N-(naphthalen-1-ylmethyl)-1-phenylprop-2-yn-1-imine.

Molecular Properties

Compound Name3-cyclopropyl-N-(naphthalen-1-ylmethyl)-1-phenylprop-2-yn-1-imine
PubChem CID57408591
Molecular FormulaC23H19N
Molecular Weight309.41 g/mol
Exact Mass309.15
IUPAC Name3-cyclopropyl-N-(naphthalen-1-ylmethyl)-1-phenylprop-2-yn-1-imine
SMILESC(#CC1CC1)/C(=N\Cc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C23H19N/c1-2-8-20(9-3-1)23(16-15-18-13-14-18)24-17-21-11-6-10-19-7-4-5-12-22(19)21/h1-12,18H,13-14,17H2/b24-23+
InChIKeyCDCZEQGJYUSQHE-WCWDXBQESA-N
XLogP5.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-1-yl-1-phenylethanone
CID 10900926
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CID 145442525
N-benzylmethanimine;ethane;N-methylidene-N'-(naphthalen-1-ylmethyl)benzenecarboximidamide
CID 145291848
1-(2,3-dihydro-1H-inden-1-yl)-3-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]urea
CID 10133042
1-cyclobutyl-N-(naphthalen-1-ylmethyl)methanamine
CID 43298553
(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-ol
CID 6939510
1-cyclopentyl-3-naphthalen-1-ylpropan-2-one
CID 61055471
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
1-cyclopropyl-1-methyl-2-(2-naphthalen-1-ylethyl)guanidine
CID 110030115
N-(naphthalen-1-ylmethyl)-1,3-dithietan-2-imine
CID 21453277
1-ethylnaphthalene;methylcyclopropane
CID 142069670
N-methyl-N-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 134791752

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(naphthalen-1-ylmethyl)-1-phenylprop-2-yn-1-imine?
The IUPAC name of 3-cyclopropyl-N-(naphthalen-1-ylmethyl)-1-phenylprop-2-yn-1-imine (CID 57408591) is 3-cyclopropyl-N-(naphthalen-1-ylmethyl)-1-phenylprop-2-yn-1-imine.
What is the SMILES notation for 3-cyclopropyl-N-(naphthalen-1-ylmethyl)-1-phenylprop-2-yn-1-imine?
The canonical SMILES for 3-cyclopropyl-N-(naphthalen-1-ylmethyl)-1-phenylprop-2-yn-1-imine is C(#CC1CC1)/C(=N\Cc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 3-cyclopropyl-N-(naphthalen-1-ylmethyl)-1-phenylprop-2-yn-1-imine?
The InChIKey is CDCZEQGJYUSQHE-WCWDXBQESA-N. The full InChI is InChI=1S/C23H19N/c1-2-8-20(9-3-1)23(16-15-18-13-14-18)24-17-21-11-6-10-19-7-4-5-12-22(19)21/h1-12,18H,13-14,17H2/b24-23+.
What are the key properties of 3-cyclopropyl-N-(naphthalen-1-ylmethyl)-1-phenylprop-2-yn-1-imine?
3-cyclopropyl-N-(naphthalen-1-ylmethyl)-1-phenylprop-2-yn-1-imine has a molecular weight of 309.41 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(naphthalen-1-ylmethyl)-1-phenylprop-2-yn-1-imine is sourced from PubChem (CID 57408591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).