(3Z)-2-N-(2,4-dimethylphenyl)-4-N,3-dimethylpenta-1,3-diene-2,4-diamine

C15H22N2 — CID 59957618

IUPAC(3Z)-2-N-(2,4-dimethylphenyl)-4-N,3-dimethylpenta-1,3-diene-2,4-diamine
SMILESC=C(Nc1ccc(C)cc1C)/C(C)=C(/C)NC
InChIInChI=1S/C15H22N2/c1-10-7-8-15(11(2)9-10)17-14(5)12(3)13(4)16-6/h7-9,16-17H,5H2,1-4,6H3/b13-12-
InChIKeyCUZRVJHDVQRHKO-SEYXRHQNSA-N
MW230.35 g/mol
LogP3.74
Rot. Bonds4

About (3Z)-2-N-(2,4-dimethylphenyl)-4-N,3-dimethylpenta-1,3-diene-2,4-diamine

(3Z)-2-N-(2,4-dimethylphenyl)-4-N,3-dimethylpenta-1,3-diene-2,4-diamine (PubChem CID 59957618) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (3Z)-2-N-(2,4-dimethylphenyl)-4-N,3-dimethylpenta-1,3-diene-2,4-diamine.

Molecular Properties

Compound Name(3Z)-2-N-(2,4-dimethylphenyl)-4-N,3-dimethylpenta-1,3-diene-2,4-diamine
PubChem CID59957618
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(3Z)-2-N-(2,4-dimethylphenyl)-4-N,3-dimethylpenta-1,3-diene-2,4-diamine
SMILESC=C(Nc1ccc(C)cc1C)/C(C)=C(/C)NC
InChIInChI=1S/C15H22N2/c1-10-7-8-15(11(2)9-10)17-14(5)12(3)13(4)16-6/h7-9,16-17H,5H2,1-4,6H3/b13-12-
InChIKeyCUZRVJHDVQRHKO-SEYXRHQNSA-N
XLogP3.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
methyl N-[(Z)-4-(2,4-dimethylanilino)-3-methyl-4-oxobut-2-en-2-yl]carbamate
CID 59957611
2-[1-(2,4-dimethylanilino)ethenyl]-4-methylphenol
CID 138652655
1-(2,4-dimethylphenyl)-3-(2-methylprop-2-enyl)thiourea
CID 15113012
N-(2,4-dimethylphenyl)carbamoyl fluoride
CID 88833294
N,2,4-trimethylaniline;hydrochloride
CID 18686602
N-(2,4-dimethylphenyl)acetamide;N-(4-iodo-2-methylphenyl)acetamide
CID 90975910
N-(2,4-dimethylphenyl)-2-methylidenepentanamide
CID 141225698
N-(2,4-dimethylphenyl)-3-hydroxybut-2-enamide
CID 86134695
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
1-N-[1-(2,5-dimethylphenyl)ethenyl]-4-N,2-dimethylbenzene-1,4-diamine
CID 170143684
prop-2-enyl N-(2,4-dimethylphenyl)carbamate
CID 3307281

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-N-(2,4-dimethylphenyl)-4-N,3-dimethylpenta-1,3-diene-2,4-diamine?
The IUPAC name of (3Z)-2-N-(2,4-dimethylphenyl)-4-N,3-dimethylpenta-1,3-diene-2,4-diamine (CID 59957618) is (3Z)-2-N-(2,4-dimethylphenyl)-4-N,3-dimethylpenta-1,3-diene-2,4-diamine.
What is the SMILES notation for (3Z)-2-N-(2,4-dimethylphenyl)-4-N,3-dimethylpenta-1,3-diene-2,4-diamine?
The canonical SMILES for (3Z)-2-N-(2,4-dimethylphenyl)-4-N,3-dimethylpenta-1,3-diene-2,4-diamine is C=C(Nc1ccc(C)cc1C)/C(C)=C(/C)NC.
What is the InChIKey of (3Z)-2-N-(2,4-dimethylphenyl)-4-N,3-dimethylpenta-1,3-diene-2,4-diamine?
The InChIKey is CUZRVJHDVQRHKO-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H22N2/c1-10-7-8-15(11(2)9-10)17-14(5)12(3)13(4)16-6/h7-9,16-17H,5H2,1-4,6H3/b13-12-.
What are the key properties of (3Z)-2-N-(2,4-dimethylphenyl)-4-N,3-dimethylpenta-1,3-diene-2,4-diamine?
(3Z)-2-N-(2,4-dimethylphenyl)-4-N,3-dimethylpenta-1,3-diene-2,4-diamine has a molecular weight of 230.35 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-N-(2,4-dimethylphenyl)-4-N,3-dimethylpenta-1,3-diene-2,4-diamine is sourced from PubChem (CID 59957618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).