3-methyl-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]aniline

C14H20N2 — CID 9060687

IUPAC3-methyl-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]aniline
SMILESCc1cccc(N/N=C2/CCC[C@H](C)C2)c1
InChIInChI=1S/C14H20N2/c1-11-5-3-7-13(9-11)15-16-14-8-4-6-12(2)10-14/h3,5,7,9,12,15H,4,6,8,10H2,1-2H3/b16-14-/t12-/m0/s1
InChIKeyGAFJZFWAWDEGND-XQTVBXIXSA-N
MW216.33 g/mol
LogP3.97
Rot. Bonds2

About 3-methyl-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]aniline

3-methyl-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]aniline (PubChem CID 9060687) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-methyl-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]aniline.

Molecular Properties

Compound Name3-methyl-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]aniline
PubChem CID9060687
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-methyl-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]aniline
SMILESCc1cccc(N/N=C2/CCC[C@H](C)C2)c1
InChIInChI=1S/C14H20N2/c1-11-5-3-7-13(9-11)15-16-14-8-4-6-12(2)10-14/h3,5,7,9,12,15H,4,6,8,10H2,1-2H3/b16-14-/t12-/m0/s1
InChIKeyGAFJZFWAWDEGND-XQTVBXIXSA-N
XLogP3.97
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-[(E)-(3-methylcyclohexylidene)amino]-3-(3-methylphenyl)thiourea
CID 6271679
methylcyclopentane;1,3-xylene
CID 142361462
3-methyl-N-(4-methylphenyl)cyclohexan-1-imine
CID 19962587
2-methyl-N-[(3-methylcyclohexylidene)amino]benzamide
CID 4165191
N,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide
CID 40543084
cis-(1S,3R)-1,3-dimethylcyclohexane;ethane;1,3-xylene
CID 157490962
ethane;methylcyclopropane;1,3-xylene
CID 142338532
2-N,5-N-bis[(Z)-[(3S)-3-methylcyclohexylidene]amino]furan-2,5-dicarboxamide
CID 51900558
1-(cyclohexylideneamino)-3-(3-methylphenyl)thiourea
CID 3652809
3-methyl-N-[(1R,3R)-3-methylcyclopentyl]aniline
CID 95376117
[[(3R)-3-methylcyclohexylidene]amino]thiourea
CID 124838605
N-[(3-methylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide
CID 534328

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]aniline?
The IUPAC name of 3-methyl-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]aniline (CID 9060687) is 3-methyl-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]aniline.
What is the SMILES notation for 3-methyl-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]aniline?
The canonical SMILES for 3-methyl-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]aniline is Cc1cccc(N/N=C2/CCC[C@H](C)C2)c1.
What is the InChIKey of 3-methyl-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]aniline?
The InChIKey is GAFJZFWAWDEGND-XQTVBXIXSA-N. The full InChI is InChI=1S/C14H20N2/c1-11-5-3-7-13(9-11)15-16-14-8-4-6-12(2)10-14/h3,5,7,9,12,15H,4,6,8,10H2,1-2H3/b16-14-/t12-/m0/s1.
What are the key properties of 3-methyl-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]aniline?
3-methyl-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]aniline has a molecular weight of 216.33 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]aniline is sourced from PubChem (CID 9060687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).