(4E)-6-[[(Z)-2-cyclopropylbut-2-enylidene]amino]-N,5-bis(ethenyl)-2-methylhepta-2,4,6-trien-3-amine

C19H26N2 — CID 176704586

IUPAC(4E)-6-[[(Z)-2-cyclopropylbut-2-enylidene]amino]-N,5-bis(ethenyl)-2-methylhepta-2,4,6-trien-3-amine
SMILESC=CNC(/C=C(\C=C)C(=C)/N=C\C(=C/C)C1CC1)=C(C)C
InChIInChI=1S/C19H26N2/c1-7-16(12-19(14(4)5)20-9-3)15(6)21-13-17(8-2)18-10-11-18/h7-9,12-13,18,20H,1,3,6,10-11H2,2,4-5H3/b16-12+,17-8+,21-13+
InChIKeyZUMSKHJMQPOYOQ-BKCZJLNDSA-N
MW282.43 g/mol
LogP5.07
Rot. Bonds8

About (4E)-6-[[(Z)-2-cyclopropylbut-2-enylidene]amino]-N,5-bis(ethenyl)-2-methylhepta-2,4,6-trien-3-amine

(4E)-6-[[(Z)-2-cyclopropylbut-2-enylidene]amino]-N,5-bis(ethenyl)-2-methylhepta-2,4,6-trien-3-amine (PubChem CID 176704586) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (4E)-6-[[(Z)-2-cyclopropylbut-2-enylidene]amino]-N,5-bis(ethenyl)-2-methylhepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(4E)-6-[[(Z)-2-cyclopropylbut-2-enylidene]amino]-N,5-bis(ethenyl)-2-methylhepta-2,4,6-trien-3-amine
PubChem CID176704586
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name(4E)-6-[[(Z)-2-cyclopropylbut-2-enylidene]amino]-N,5-bis(ethenyl)-2-methylhepta-2,4,6-trien-3-amine
SMILESC=CNC(/C=C(\C=C)C(=C)/N=C\C(=C/C)C1CC1)=C(C)C
InChIInChI=1S/C19H26N2/c1-7-16(12-19(14(4)5)20-9-3)15(6)21-13-17(8-2)18-10-11-18/h7-9,12-13,18,20H,1,3,6,10-11H2,2,4-5H3/b16-12+,17-8+,21-13+
InChIKeyZUMSKHJMQPOYOQ-BKCZJLNDSA-N
XLogP5.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-5-[(1E,3E,5Z)-6-cyclopropyl-2,3-dimethyl-5-(trifluoromethyl)hepta-1,3,5-trienyl]imino-N-ethenyl-4-methylidenehex-2-en-2-amine
CID 167506828
(Z)-[(2E)-5-propan-2-yl-2-prop-2-enylidene-3-pyridinylidene]methanamine
CID 89263436
(2Z)-N-[(Z)-4-cyclopropyl-4-iminobut-2-en-2-yl]-2-propan-2-ylpenta-2,4-dien-1-imine
CID 123522463
1-cyclopropyl-N-[(2Z)-2-[(6Z)-4-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-6-[(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]ethyl]ethenamine
CID 129169593
(1Z)-3-[[(3Z,4Z)-4-(2-cyclopropylprop-2-enylidene)-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]methyl]-N-methylbuta-1,3-dien-1-amine
CID 129170509
(1Z,3E)-4-N-[(1E,3Z,5Z)-7-cyclopropyl-3,5-diethylhepta-1,3,5-trienyl]-1-N-[(E)-2-methylbut-2-enyl]-1-(methylideneamino)hexa-1,3,5-triene-1,4-diamine
CID 129215157
N-ethenyl-3-methyl-5-propan-2-ylazepin-3-amine
CID 135136374
(3Z,5E,6Z)-6-[[(2Z)-2-(2,4-dimethylcyclobuta-1,3-dien-1-yl)-4-methylpenta-2,4-dienylidene]amino]-5-ethylideneocta-1,3,6-trien-2-amine
CID 135294800
(Z)-2-[(7E)-7-(4-imino-1-methyliminobutan-2-ylidene)-2-methyl-1,4-dihydroazepin-4-yl]-3-methyliminoprop-1-en-1-amine
CID 145558732
(3Z,5Z)-7-[[(2E)-2,5-dimethylhepta-2,6-dienylidene]amino]-N-ethylhepta-1,3,5-trien-2-amine
CID 146359455
(1Z,3E,4E,7Z)-2-(ethylideneamino)-N,5-dimethyl-6-methylidene-9-methylimino-3-propylidenenona-1,4,7-trien-1-amine
CID 154948939
(2S)-N-[3-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]iminoprop-1-en-2-yl]-3-methylidenepent-4-en-2-amine
CID 154979175

Frequently Asked Questions

What is the IUPAC name of (4E)-6-[[(Z)-2-cyclopropylbut-2-enylidene]amino]-N,5-bis(ethenyl)-2-methylhepta-2,4,6-trien-3-amine?
The IUPAC name of (4E)-6-[[(Z)-2-cyclopropylbut-2-enylidene]amino]-N,5-bis(ethenyl)-2-methylhepta-2,4,6-trien-3-amine (CID 176704586) is (4E)-6-[[(Z)-2-cyclopropylbut-2-enylidene]amino]-N,5-bis(ethenyl)-2-methylhepta-2,4,6-trien-3-amine.
What is the SMILES notation for (4E)-6-[[(Z)-2-cyclopropylbut-2-enylidene]amino]-N,5-bis(ethenyl)-2-methylhepta-2,4,6-trien-3-amine?
The canonical SMILES for (4E)-6-[[(Z)-2-cyclopropylbut-2-enylidene]amino]-N,5-bis(ethenyl)-2-methylhepta-2,4,6-trien-3-amine is C=CNC(/C=C(\C=C)C(=C)/N=C\C(=C/C)C1CC1)=C(C)C.
What is the InChIKey of (4E)-6-[[(Z)-2-cyclopropylbut-2-enylidene]amino]-N,5-bis(ethenyl)-2-methylhepta-2,4,6-trien-3-amine?
The InChIKey is ZUMSKHJMQPOYOQ-BKCZJLNDSA-N. The full InChI is InChI=1S/C19H26N2/c1-7-16(12-19(14(4)5)20-9-3)15(6)21-13-17(8-2)18-10-11-18/h7-9,12-13,18,20H,1,3,6,10-11H2,2,4-5H3/b16-12+,17-8+,21-13+.
What are the key properties of (4E)-6-[[(Z)-2-cyclopropylbut-2-enylidene]amino]-N,5-bis(ethenyl)-2-methylhepta-2,4,6-trien-3-amine?
(4E)-6-[[(Z)-2-cyclopropylbut-2-enylidene]amino]-N,5-bis(ethenyl)-2-methylhepta-2,4,6-trien-3-amine has a molecular weight of 282.43 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-6-[[(Z)-2-cyclopropylbut-2-enylidene]amino]-N,5-bis(ethenyl)-2-methylhepta-2,4,6-trien-3-amine is sourced from PubChem (CID 176704586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).