N-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methylideneamino]aniline

C21H27N3 — CID 169382068

IUPACN-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methylideneamino]aniline
SMILESCN(Cc1ccc(C=NNc2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C21H27N3/c1-24(21-10-6-3-7-11-21)17-19-14-12-18(13-15-19)16-22-23-20-8-4-2-5-9-20/h2,4-5,8-9,12-16,21,23H,3,6-7,10-11,17H2,1H3
InChIKeyHCAOODAARXYIQD-UHFFFAOYSA-N
MW321.47 g/mol
LogP4.90
Rot. Bonds6

About N-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methylideneamino]aniline

N-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methylideneamino]aniline (PubChem CID 169382068) has the molecular formula C21H27N3 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methylideneamino]aniline
PubChem CID169382068
Molecular FormulaC21H27N3
Molecular Weight321.47 g/mol
Exact Mass321.22
IUPAC NameN-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methylideneamino]aniline
SMILESCN(Cc1ccc(C=NNc2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C21H27N3/c1-24(21-10-6-3-7-11-21)17-19-14-12-18(13-15-19)16-22-23-20-8-4-2-5-9-20/h2,4-5,8-9,12-16,21,23H,3,6-7,10-11,17H2,1H3
InChIKeyHCAOODAARXYIQD-UHFFFAOYSA-N
XLogP4.90
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[4-(2-methylpiperidin-1-yl)phenyl]methylideneamino]aniline
CID 171352963
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]cyclohexanamine
CID 62424446
ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine
CID 143603209
(E)-3-[4-[[cyclopentyl(methyl)amino]methyl]phenyl]prop-2-enoic acid
CID 109375436
N-[(Z)-(4-phenylphenyl)methylideneamino]aniline
CID 5356673
4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride
CID 166523994
N-[(4-cyclopentyloxyphenyl)methylideneamino]-4-methylaniline
CID 110840948
CID 174466109
CID 174466109
N-methyl-N-[(4-trimethylsilylphenyl)methyl]cyclohexanamine
CID 103438253
N-methyl-N-[(4-trimethylsilylphenyl)methyl]cycloheptanamine
CID 103438311
N-[[4-(prop-2-enoxymethyl)phenyl]methylideneamino]aniline
CID 169381951
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 96878825

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methylideneamino]aniline?
The IUPAC name of N-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methylideneamino]aniline (CID 169382068) is N-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methylideneamino]aniline is CN(Cc1ccc(C=NNc2ccccc2)cc1)C1CCCCC1.
What is the InChIKey of N-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methylideneamino]aniline?
The InChIKey is HCAOODAARXYIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3/c1-24(21-10-6-3-7-11-21)17-19-14-12-18(13-15-19)16-22-23-20-8-4-2-5-9-20/h2,4-5,8-9,12-16,21,23H,3,6-7,10-11,17H2,1H3.
What are the key properties of N-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methylideneamino]aniline?
N-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methylideneamino]aniline has a molecular weight of 321.47 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methylideneamino]aniline is sourced from PubChem (CID 169382068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).