1-N,3-N-bis[(1Z)-buta-1,3-dienyl]-1-N,3-N,2-trimethylbenzene-1,3-diamine

C17H22N2 — CID 144735633

IUPAC1-N,3-N-bis[(1Z)-buta-1,3-dienyl]-1-N,3-N,2-trimethylbenzene-1,3-diamine
SMILESC=C/C=C\N(C)c1cccc(N(C)/C=C\C=C)c1C
InChIInChI=1S/C17H22N2/c1-6-8-13-18(4)16-11-10-12-17(15(16)3)19(5)14-9-7-2/h6-14H,1-2H2,3-5H3/b13-8-,14-9-
InChIKeyJZRSIHILZSLIHL-QKPPEBSVSA-N
MW254.38 g/mol
LogP4.27
Rot. Bonds6

About 1-N,3-N-bis[(1Z)-buta-1,3-dienyl]-1-N,3-N,2-trimethylbenzene-1,3-diamine

1-N,3-N-bis[(1Z)-buta-1,3-dienyl]-1-N,3-N,2-trimethylbenzene-1,3-diamine (PubChem CID 144735633) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-N,3-N-bis[(1Z)-buta-1,3-dienyl]-1-N,3-N,2-trimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-bis[(1Z)-buta-1,3-dienyl]-1-N,3-N,2-trimethylbenzene-1,3-diamine
PubChem CID144735633
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-N,3-N-bis[(1Z)-buta-1,3-dienyl]-1-N,3-N,2-trimethylbenzene-1,3-diamine
SMILESC=C/C=C\N(C)c1cccc(N(C)/C=C\C=C)c1C
InChIInChI=1S/C17H22N2/c1-6-8-13-18(4)16-11-10-12-17(15(16)3)19(5)14-9-7-2/h6-14H,1-2H2,3-5H3/b13-8-,14-9-
InChIKeyJZRSIHILZSLIHL-QKPPEBSVSA-N
XLogP4.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1Z)-buta-1,3-dienyl]-N,3-dimethylaniline
CID 172568637
N-[(1Z)-buta-1,3-dienyl]-N-methyl-6-(2-methylpropyl)pyridin-2-amine
CID 143699540
N-[(1Z)-buta-1,3-dienyl]-N,1-dimethylbenzimidazol-2-amine
CID 155173890
3-bromo-N,N,2-trimethylaniline
CID 107640986
N-ethenyl-N-methylnaphthalen-1-amine
CID 70602093
1-[3-(dimethylamino)-2-methylphenyl]prop-2-en-1-one
CID 67694778
1-buta-1,3-dienyl-1-methylhydrazine
CID 91065871
(1Z,3Z)-N-[(1Z)-buta-1,3-dienyl]-N-methylhexa-1,3,5-trien-1-amine
CID 163917439
ethyl 3-[[2-[[(1Z)-buta-1,3-dienyl]-methylamino]-4-pyridinyl]oxy]-2-methylbenzoate
CID 171635937
(1Z,3Z)-N-benzyl-N-methylhexa-1,3,5-trien-1-amine
CID 167283713
(E)-3-(N,2-dimethylanilino)prop-2-enenitrile
CID 88538395
1-[(1Z)-buta-1,3-dienyl]-3-methylbenzene
CID 129406214

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis[(1Z)-buta-1,3-dienyl]-1-N,3-N,2-trimethylbenzene-1,3-diamine?
The IUPAC name of 1-N,3-N-bis[(1Z)-buta-1,3-dienyl]-1-N,3-N,2-trimethylbenzene-1,3-diamine (CID 144735633) is 1-N,3-N-bis[(1Z)-buta-1,3-dienyl]-1-N,3-N,2-trimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-bis[(1Z)-buta-1,3-dienyl]-1-N,3-N,2-trimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-bis[(1Z)-buta-1,3-dienyl]-1-N,3-N,2-trimethylbenzene-1,3-diamine is C=C/C=C\N(C)c1cccc(N(C)/C=C\C=C)c1C.
What is the InChIKey of 1-N,3-N-bis[(1Z)-buta-1,3-dienyl]-1-N,3-N,2-trimethylbenzene-1,3-diamine?
The InChIKey is JZRSIHILZSLIHL-QKPPEBSVSA-N. The full InChI is InChI=1S/C17H22N2/c1-6-8-13-18(4)16-11-10-12-17(15(16)3)19(5)14-9-7-2/h6-14H,1-2H2,3-5H3/b13-8-,14-9-.
What are the key properties of 1-N,3-N-bis[(1Z)-buta-1,3-dienyl]-1-N,3-N,2-trimethylbenzene-1,3-diamine?
1-N,3-N-bis[(1Z)-buta-1,3-dienyl]-1-N,3-N,2-trimethylbenzene-1,3-diamine has a molecular weight of 254.38 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis[(1Z)-buta-1,3-dienyl]-1-N,3-N,2-trimethylbenzene-1,3-diamine is sourced from PubChem (CID 144735633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).