(1Z,4E)-1-[[(Z)-but-2-enylidene]amino]-3-methylhexa-1,4-dien-3-amine

C11H18N2 — CID 143571683

IUPAC(1Z,4E)-1-[[(Z)-but-2-enylidene]amino]-3-methylhexa-1,4-dien-3-amine
SMILESC/C=C\C=N\C=C/C(C)(N)/C=C/C
InChIInChI=1S/C11H18N2/c1-4-6-9-13-10-8-11(3,12)7-5-2/h4-10H,12H2,1-3H3/b6-4-,7-5+,10-8-,13-9+
InChIKeyNZPAWNLJWUIZSG-LCFHLEECSA-N
MW178.28 g/mol
LogP2.44
Rot. Bonds4

About (1Z,4E)-1-[[(Z)-but-2-enylidene]amino]-3-methylhexa-1,4-dien-3-amine

(1Z,4E)-1-[[(Z)-but-2-enylidene]amino]-3-methylhexa-1,4-dien-3-amine (PubChem CID 143571683) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (1Z,4E)-1-[[(Z)-but-2-enylidene]amino]-3-methylhexa-1,4-dien-3-amine.

Molecular Properties

Compound Name(1Z,4E)-1-[[(Z)-but-2-enylidene]amino]-3-methylhexa-1,4-dien-3-amine
PubChem CID143571683
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(1Z,4E)-1-[[(Z)-but-2-enylidene]amino]-3-methylhexa-1,4-dien-3-amine
SMILESC/C=C\C=N\C=C/C(C)(N)/C=C/C
InChIInChI=1S/C11H18N2/c1-4-6-9-13-10-8-11(3,12)7-5-2/h4-10H,12H2,1-3H3/b6-4-,7-5+,10-8-,13-9+
InChIKeyNZPAWNLJWUIZSG-LCFHLEECSA-N
XLogP2.44
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-amino-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride
CID 142233076
(E)-3-ethyl-1-[[(Z)-4-fluoropent-2-enylidene]amino]pent-1-en-3-amine
CID 173733529
(Z)-1-tert-butyliminopent-2-en-3-amine
CID 10986475
4-Methylazepin-4-amine
CID 69476902
3-Amino-3-methylpyridine
CID 89174215
(Z)-1-ethylimino-4-methylpent-2-en-3-amine
CID 89174968
(E)-5-ethenylimino-3-methylpent-3-en-2-amine
CID 89185805
(E)-4-ethenylimino-2-ethylbut-2-en-1-amine
CID 89270126
(E)-3-[[(E)-pent-3-en-2-ylidene]amino]prop-2-en-1-amine
CID 118528036
5-But-1-enyl-5-methyl-1,4-diazepine
CID 123256300
2,3-Dimethyl-5-methyliminopent-3-en-2-amine
CID 123378299
(Z)-1-[[(Z)-but-2-enylidene]amino]-3,3-dimethylbut-1-en-2-amine
CID 126586977

Frequently Asked Questions

What is the IUPAC name of (1Z,4E)-1-[[(Z)-but-2-enylidene]amino]-3-methylhexa-1,4-dien-3-amine?
The IUPAC name of (1Z,4E)-1-[[(Z)-but-2-enylidene]amino]-3-methylhexa-1,4-dien-3-amine (CID 143571683) is (1Z,4E)-1-[[(Z)-but-2-enylidene]amino]-3-methylhexa-1,4-dien-3-amine.
What is the SMILES notation for (1Z,4E)-1-[[(Z)-but-2-enylidene]amino]-3-methylhexa-1,4-dien-3-amine?
The canonical SMILES for (1Z,4E)-1-[[(Z)-but-2-enylidene]amino]-3-methylhexa-1,4-dien-3-amine is C/C=C\C=N\C=C/C(C)(N)/C=C/C.
What is the InChIKey of (1Z,4E)-1-[[(Z)-but-2-enylidene]amino]-3-methylhexa-1,4-dien-3-amine?
The InChIKey is NZPAWNLJWUIZSG-LCFHLEECSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-6-9-13-10-8-11(3,12)7-5-2/h4-10H,12H2,1-3H3/b6-4-,7-5+,10-8-,13-9+.
What are the key properties of (1Z,4E)-1-[[(Z)-but-2-enylidene]amino]-3-methylhexa-1,4-dien-3-amine?
(1Z,4E)-1-[[(Z)-but-2-enylidene]amino]-3-methylhexa-1,4-dien-3-amine has a molecular weight of 178.28 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4E)-1-[[(Z)-but-2-enylidene]amino]-3-methylhexa-1,4-dien-3-amine is sourced from PubChem (CID 143571683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).