N-cyclohexyl-N'-(2-hex-1-ynylphenyl)methanediimine

C19H24N2 — CID 177490422

IUPACN-cyclohexyl-N'-(2-hex-1-ynylphenyl)methanediimine
SMILESCCCCC#Cc1ccccc1N=C=NC1CCCCC1
InChIInChI=1S/C19H24N2/c1-2-3-4-6-11-17-12-9-10-15-19(17)21-16-20-18-13-7-5-8-14-18/h9-10,12,15,18H,2-5,7-8,13-14H2,1H3
InChIKeyCJAHAINOYISXNT-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.37
Rot. Bonds4

About N-cyclohexyl-N'-(2-hex-1-ynylphenyl)methanediimine

N-cyclohexyl-N'-(2-hex-1-ynylphenyl)methanediimine (PubChem CID 177490422) has the molecular formula C19H24N2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-cyclohexyl-N'-(2-hex-1-ynylphenyl)methanediimine.

Molecular Properties

Compound NameN-cyclohexyl-N'-(2-hex-1-ynylphenyl)methanediimine
PubChem CID177490422
Molecular FormulaC19H24N2
Molecular Weight280.41 g/mol
Exact Mass280.19
IUPAC NameN-cyclohexyl-N'-(2-hex-1-ynylphenyl)methanediimine
SMILESCCCCC#Cc1ccccc1N=C=NC1CCCCC1
InChIInChI=1S/C19H24N2/c1-2-3-4-6-11-17-12-9-10-15-19(17)21-16-20-18-13-7-5-8-14-18/h9-10,12,15,18H,2-5,7-8,13-14H2,1H3
InChIKeyCJAHAINOYISXNT-UHFFFAOYSA-N
XLogP5.37
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-dec-1-ynyl-2-isocyanatobenzene
CID 101208885
1-isothiocyanato-2-oct-1-ynylbenzene
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CID 87328488
1,2-bis(oct-1-ynyl)benzene
CID 11087701
(2-hex-1-ynylphenyl)-trimethylsilane
CID 139650960
1-hex-1-ynylnaphthalene
CID 11769709
1,1,1-trifluoro-N-(2-hex-1-ynylphenyl)-4-phenylbut-3-yn-2-imine
CID 102428527
N-cyclohexyl-N'-(2,6-dimethylphenyl)methanediimine
CID 10656986
1-diethoxyphosphoryl-2-hex-1-ynylbenzene
CID 12988807
2-[2-(2-hept-1-ynylphenyl)ethynyl]benzonitrile
CID 11077353
1-fluoro-2-tridec-1-ynylbenzene
CID 162401723
2-hex-1-ynylbenzoyl chloride
CID 10727684

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-(2-hex-1-ynylphenyl)methanediimine?
The IUPAC name of N-cyclohexyl-N'-(2-hex-1-ynylphenyl)methanediimine (CID 177490422) is N-cyclohexyl-N'-(2-hex-1-ynylphenyl)methanediimine.
What is the SMILES notation for N-cyclohexyl-N'-(2-hex-1-ynylphenyl)methanediimine?
The canonical SMILES for N-cyclohexyl-N'-(2-hex-1-ynylphenyl)methanediimine is CCCCC#Cc1ccccc1N=C=NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-N'-(2-hex-1-ynylphenyl)methanediimine?
The InChIKey is CJAHAINOYISXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-2-3-4-6-11-17-12-9-10-15-19(17)21-16-20-18-13-7-5-8-14-18/h9-10,12,15,18H,2-5,7-8,13-14H2,1H3.
What are the key properties of N-cyclohexyl-N'-(2-hex-1-ynylphenyl)methanediimine?
N-cyclohexyl-N'-(2-hex-1-ynylphenyl)methanediimine has a molecular weight of 280.41 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-(2-hex-1-ynylphenyl)methanediimine is sourced from PubChem (CID 177490422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).