(2E,4Z)-3-(butylideneamino)-2-(ethylideneamino)-5-methylhepta-2,4-dien-4-amine

C14H25N3 — CID 171106730

IUPAC(2E,4Z)-3-(butylideneamino)-2-(ethylideneamino)-5-methylhepta-2,4-dien-4-amine
SMILESC/C=N/C(C)=C(/N=C/CCC)C(\N)=C(/C)CC
InChIInChI=1S/C14H25N3/c1-6-9-10-17-14(12(5)16-8-3)13(15)11(4)7-2/h8,10H,6-7,9,15H2,1-5H3/b13-11-,14-12+,16-8+,17-10+
InChIKeyIYLIKOPNYABXKW-CBAOZJGLSA-N
MW235.38 g/mol
LogP3.82
Rot. Bonds6

About (2E,4Z)-3-(butylideneamino)-2-(ethylideneamino)-5-methylhepta-2,4-dien-4-amine

(2E,4Z)-3-(butylideneamino)-2-(ethylideneamino)-5-methylhepta-2,4-dien-4-amine (PubChem CID 171106730) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is (2E,4Z)-3-(butylideneamino)-2-(ethylideneamino)-5-methylhepta-2,4-dien-4-amine.

Molecular Properties

Compound Name(2E,4Z)-3-(butylideneamino)-2-(ethylideneamino)-5-methylhepta-2,4-dien-4-amine
PubChem CID171106730
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name(2E,4Z)-3-(butylideneamino)-2-(ethylideneamino)-5-methylhepta-2,4-dien-4-amine
SMILESC/C=N/C(C)=C(/N=C/CCC)C(\N)=C(/C)CC
InChIInChI=1S/C14H25N3/c1-6-9-10-17-14(12(5)16-8-3)13(15)11(4)7-2/h8,10H,6-7,9,15H2,1-5H3/b13-11-,14-12+,16-8+,17-10+
InChIKeyIYLIKOPNYABXKW-CBAOZJGLSA-N
XLogP3.82
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine
CID 177018825
N-methylethanimine;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine
CID 54326637
N-[(3Z,5Z)-2-methyl-4-(methylideneamino)octa-1,3,5,7-tetraen-3-yl]propan-1-imine
CID 90973145
N-(2,4-dimethylpenta-1,3-dien-3-yl)propan-1-imine
CID 91516831
(3E,5Z,7Z,9Z)-3-(ethylideneamino)-4-methylundeca-1,3,5,7,9-pentaene-2,6-diamine
CID 118213495
4,7-diethyl-1-methyl-3H-azepin-1-ium-5,6-diamine
CID 123710469
2-N-(2,4-dimethylpenta-1,3-dien-3-yl)-1-N-ethylbutane-1,2-diimine
CID 123988997
(3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine
CID 126593736
1-(4-methyl-3H-pyrrol-5-yl)ethenamine
CID 134266625
(3Z)-4-(ethylideneamino)-3-methylhepta-1,3,6-trien-2-amine
CID 134333668
N-[(3E)-5,6-dimethyl-2-(methylideneamino)hepta-1,3,5-trien-3-yl]ethanimine
CID 139436485
ethene;(2Z)-3-(ethylideneamino)-4-methylpenta-2,4-dien-2-amine
CID 141816855

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3-(butylideneamino)-2-(ethylideneamino)-5-methylhepta-2,4-dien-4-amine?
The IUPAC name of (2E,4Z)-3-(butylideneamino)-2-(ethylideneamino)-5-methylhepta-2,4-dien-4-amine (CID 171106730) is (2E,4Z)-3-(butylideneamino)-2-(ethylideneamino)-5-methylhepta-2,4-dien-4-amine.
What is the SMILES notation for (2E,4Z)-3-(butylideneamino)-2-(ethylideneamino)-5-methylhepta-2,4-dien-4-amine?
The canonical SMILES for (2E,4Z)-3-(butylideneamino)-2-(ethylideneamino)-5-methylhepta-2,4-dien-4-amine is C/C=N/C(C)=C(/N=C/CCC)C(\N)=C(/C)CC.
What is the InChIKey of (2E,4Z)-3-(butylideneamino)-2-(ethylideneamino)-5-methylhepta-2,4-dien-4-amine?
The InChIKey is IYLIKOPNYABXKW-CBAOZJGLSA-N. The full InChI is InChI=1S/C14H25N3/c1-6-9-10-17-14(12(5)16-8-3)13(15)11(4)7-2/h8,10H,6-7,9,15H2,1-5H3/b13-11-,14-12+,16-8+,17-10+.
What are the key properties of (2E,4Z)-3-(butylideneamino)-2-(ethylideneamino)-5-methylhepta-2,4-dien-4-amine?
(2E,4Z)-3-(butylideneamino)-2-(ethylideneamino)-5-methylhepta-2,4-dien-4-amine has a molecular weight of 235.38 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-(butylideneamino)-2-(ethylideneamino)-5-methylhepta-2,4-dien-4-amine is sourced from PubChem (CID 171106730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).