(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine

C15H19N — CID 170401360

IUPAC(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine
SMILESC=C/C=C\C(=C/C)NC(/C=C\C=C)=C/C=C
InChIInChI=1S/C15H19N/c1-5-9-12-14(8-4)16-15(11-7-3)13-10-6-2/h5-13,16H,1-3H2,4H3/b12-9-,13-10-,14-8+,15-11+
InChIKeyJDRPZYLWGLGDDA-ALGHBOFHSA-N
MW213.32 g/mol
LogP4.03
Rot. Bonds7

About (3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine

(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine (PubChem CID 170401360) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is (3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine.

Molecular Properties

Compound Name(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine
PubChem CID170401360
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine
SMILESC=C/C=C\C(=C/C)NC(/C=C\C=C)=C/C=C
InChIInChI=1S/C15H19N/c1-5-9-12-14(8-4)16-15(11-7-3)13-10-6-2/h5-13,16H,1-3H2,4H3/b12-9-,13-10-,14-8+,15-11+
InChIKeyJDRPZYLWGLGDDA-ALGHBOFHSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N'-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxamide
CID 146500777
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]urea
CID 166820830
1,3-bis[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]urea
CID 134386892
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide
CID 129215041
ethane;[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]hydrazine
CID 143703879
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-iminoacetamide
CID 177149114
(2E,3E)-3-[[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]amino]-2-prop-2-enylidenehexa-3,5-dienoic acid
CID 155110175
ethane;[(2E,4Z)-hepta-2,4,6-trien-3-yl]hydrazine
CID 154694303
(2E,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]hepta-2,4,6-trien-3-amine
CID 144567839
(2E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxyiminoacetamide
CID 177149097
(2E,4Z)-N-methylhepta-2,4,6-trien-3-amine;propane
CID 144790327
(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide
CID 139472808

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine?
The IUPAC name of (3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine (CID 170401360) is (3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine.
What is the SMILES notation for (3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine?
The canonical SMILES for (3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine is C=C/C=C\C(=C/C)NC(/C=C\C=C)=C/C=C.
What is the InChIKey of (3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine?
The InChIKey is JDRPZYLWGLGDDA-ALGHBOFHSA-N. The full InChI is InChI=1S/C15H19N/c1-5-9-12-14(8-4)16-15(11-7-3)13-10-6-2/h5-13,16H,1-3H2,4H3/b12-9-,13-10-,14-8+,15-11+.
What are the key properties of (3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine?
(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine has a molecular weight of 213.32 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine is sourced from PubChem (CID 170401360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).