N-[(4-butylphenyl)methylideneamino]-1-(4-pentylcyclohexyl)-1-phenylmethanimine

C29H40N2 — CID 173276579

IUPACN-[(4-butylphenyl)methylideneamino]-1-(4-pentylcyclohexyl)-1-phenylmethanimine
SMILESCCCCCC1CCC(C(=NN=Cc2ccc(CCCC)cc2)c2ccccc2)CC1
InChIInChI=1S/C29H40N2/c1-3-5-8-12-25-19-21-28(22-20-25)29(27-13-9-7-10-14-27)31-30-23-26-17-15-24(16-18-26)11-6-4-2/h7,9-10,13-18,23,25,28H,3-6,8,11-12,19-22H2,1-2H3
InChIKeyTYVLMBUBGLKZCR-UHFFFAOYSA-N
MW416.65 g/mol
LogP8.24
Rot. Bonds11

About N-[(4-butylphenyl)methylideneamino]-1-(4-pentylcyclohexyl)-1-phenylmethanimine

N-[(4-butylphenyl)methylideneamino]-1-(4-pentylcyclohexyl)-1-phenylmethanimine (PubChem CID 173276579) has the molecular formula C29H40N2 and a molecular weight of 416.65 g/mol. Its IUPAC name is N-[(4-butylphenyl)methylideneamino]-1-(4-pentylcyclohexyl)-1-phenylmethanimine.

Molecular Properties

Compound NameN-[(4-butylphenyl)methylideneamino]-1-(4-pentylcyclohexyl)-1-phenylmethanimine
PubChem CID173276579
Molecular FormulaC29H40N2
Molecular Weight416.65 g/mol
Exact Mass416.32
IUPAC NameN-[(4-butylphenyl)methylideneamino]-1-(4-pentylcyclohexyl)-1-phenylmethanimine
SMILESCCCCCC1CCC(C(=NN=Cc2ccc(CCCC)cc2)c2ccccc2)CC1
InChIInChI=1S/C29H40N2/c1-3-5-8-12-25-19-21-28(22-20-25)29(27-13-9-7-10-14-27)31-30-23-26-17-15-24(16-18-26)11-6-4-2/h7,9-10,13-18,23,25,28H,3-6,8,11-12,19-22H2,1-2H3
InChIKeyTYVLMBUBGLKZCR-UHFFFAOYSA-N
XLogP8.24
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.65
LogP ≤ 58.24
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-hept-6-enylphenyl)methylideneamino]-1-(4-heptylcyclohexyl)-1-phenylmethanimine
CID 173276365
N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenyl-1-(4-propylcyclohexyl)methanimine
CID 173276692
1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 18965925
4-[4-(4-pentylcyclohexyl)butyl]phenol
CID 19371124
2-[(E)-(4-octylphenyl)methylideneamino]guanidine
CID 166950257
1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine
CID 140983623
1-methyl-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965894
2-(4-butylcyclohexyl)ethylbenzene
CID 19899703
1-chloro-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965949
4-cyclopropylbutylbenzene
CID 10261592
4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzoic acid
CID 153328423
1,2-bis[(4-butylphenyl)methylideneamino]guanidine
CID 118918863

Frequently Asked Questions

What is the IUPAC name of N-[(4-butylphenyl)methylideneamino]-1-(4-pentylcyclohexyl)-1-phenylmethanimine?
The IUPAC name of N-[(4-butylphenyl)methylideneamino]-1-(4-pentylcyclohexyl)-1-phenylmethanimine (CID 173276579) is N-[(4-butylphenyl)methylideneamino]-1-(4-pentylcyclohexyl)-1-phenylmethanimine.
What is the SMILES notation for N-[(4-butylphenyl)methylideneamino]-1-(4-pentylcyclohexyl)-1-phenylmethanimine?
The canonical SMILES for N-[(4-butylphenyl)methylideneamino]-1-(4-pentylcyclohexyl)-1-phenylmethanimine is CCCCCC1CCC(C(=NN=Cc2ccc(CCCC)cc2)c2ccccc2)CC1.
What is the InChIKey of N-[(4-butylphenyl)methylideneamino]-1-(4-pentylcyclohexyl)-1-phenylmethanimine?
The InChIKey is TYVLMBUBGLKZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N2/c1-3-5-8-12-25-19-21-28(22-20-25)29(27-13-9-7-10-14-27)31-30-23-26-17-15-24(16-18-26)11-6-4-2/h7,9-10,13-18,23,25,28H,3-6,8,11-12,19-22H2,1-2H3.
What are the key properties of N-[(4-butylphenyl)methylideneamino]-1-(4-pentylcyclohexyl)-1-phenylmethanimine?
N-[(4-butylphenyl)methylideneamino]-1-(4-pentylcyclohexyl)-1-phenylmethanimine has a molecular weight of 416.65 g/mol, XLogP of 8.24, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butylphenyl)methylideneamino]-1-(4-pentylcyclohexyl)-1-phenylmethanimine is sourced from PubChem (CID 173276579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).