N-[(E)-(4-amino-4-methylpentylidene)amino]-2,4-dimethylaniline

C14H23N3 — CID 20683650

IUPACN-[(E)-(4-amino-4-methylpentylidene)amino]-2,4-dimethylaniline
SMILESCc1ccc(N/N=C/CCC(C)(C)N)c(C)c1
InChIInChI=1S/C14H23N3/c1-11-6-7-13(12(2)10-11)17-16-9-5-8-14(3,4)15/h6-7,9-10,17H,5,8,15H2,1-4H3/b16-9+
InChIKeyLSUPWUCMZLFMBI-CXUHLZMHSA-N
MW233.36 g/mol
LogP3.22
Rot. Bonds5

About N-[(E)-(4-amino-4-methylpentylidene)amino]-2,4-dimethylaniline

N-[(E)-(4-amino-4-methylpentylidene)amino]-2,4-dimethylaniline (PubChem CID 20683650) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[(E)-(4-amino-4-methylpentylidene)amino]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[(E)-(4-amino-4-methylpentylidene)amino]-2,4-dimethylaniline
PubChem CID20683650
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-[(E)-(4-amino-4-methylpentylidene)amino]-2,4-dimethylaniline
SMILESCc1ccc(N/N=C/CCC(C)(C)N)c(C)c1
InChIInChI=1S/C14H23N3/c1-11-6-7-13(12(2)10-11)17-16-9-5-8-14(3,4)15/h6-7,9-10,17H,5,8,15H2,1-4H3/b16-9+
InChIKeyLSUPWUCMZLFMBI-CXUHLZMHSA-N
XLogP3.22
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.22
H-Bond Donors ≤ 52
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

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(2,4-Dimethylphenyl)hydrazine
CID 702862
3-Butyl-1-P-tolyltriazene
CID 3481453
Nitrin
CID 9571052
o-Aminobenzalphenylhydrazon
CID 68380
N-[(E)-(3-methylphenyl)methylideneamino]-2-(trifluoromethyl)aniline
CID 9613317
Benzaldehyde (4-methylphenyl)hydrazone
CID 9671938
Cinnamaldehyde phenylhydrazone
CID 271521
1,4-Dihydrocinnoline
CID 12427297
2-[(Z)-(phenylhydrazinylidene)methyl]aniline
CID 5375979

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-amino-4-methylpentylidene)amino]-2,4-dimethylaniline?
The IUPAC name of N-[(E)-(4-amino-4-methylpentylidene)amino]-2,4-dimethylaniline (CID 20683650) is N-[(E)-(4-amino-4-methylpentylidene)amino]-2,4-dimethylaniline.
What is the SMILES notation for N-[(E)-(4-amino-4-methylpentylidene)amino]-2,4-dimethylaniline?
The canonical SMILES for N-[(E)-(4-amino-4-methylpentylidene)amino]-2,4-dimethylaniline is Cc1ccc(N/N=C/CCC(C)(C)N)c(C)c1.
What is the InChIKey of N-[(E)-(4-amino-4-methylpentylidene)amino]-2,4-dimethylaniline?
The InChIKey is LSUPWUCMZLFMBI-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-6-7-13(12(2)10-11)17-16-9-5-8-14(3,4)15/h6-7,9-10,17H,5,8,15H2,1-4H3/b16-9+.
What are the key properties of N-[(E)-(4-amino-4-methylpentylidene)amino]-2,4-dimethylaniline?
N-[(E)-(4-amino-4-methylpentylidene)amino]-2,4-dimethylaniline has a molecular weight of 233.36 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-amino-4-methylpentylidene)amino]-2,4-dimethylaniline is sourced from PubChem (CID 20683650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).