(3E)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylhexa-1,4-dien-2-amine

C16H23N — CID 143052438

IUPAC(3E)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylhexa-1,4-dien-2-amine
SMILESC=C/C(=C\C=C/C)NC(=C)/C(C=C(C)C)=C/C
InChIInChI=1S/C16H23N/c1-7-10-11-16(9-3)17-14(6)15(8-2)12-13(4)5/h7-12,17H,3,6H2,1-2,4-5H3/b10-7-,15-8+,16-11+
InChIKeyMFJKLTSPVIKIGN-OAYFWEIUSA-N
MW229.37 g/mol
LogP4.65
Rot. Bonds6

About (3E)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylhexa-1,4-dien-2-amine

(3E)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylhexa-1,4-dien-2-amine (PubChem CID 143052438) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is (3E)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylhexa-1,4-dien-2-amine.

Molecular Properties

Compound Name(3E)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylhexa-1,4-dien-2-amine
PubChem CID143052438
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name(3E)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylhexa-1,4-dien-2-amine
SMILESC=C/C(=C\C=C/C)NC(=C)/C(C=C(C)C)=C/C
InChIInChI=1S/C16H23N/c1-7-10-11-16(9-3)17-14(6)15(8-2)12-13(4)5/h7-12,17H,3,6H2,1-2,4-5H3/b10-7-,15-8+,16-11+
InChIKeyMFJKLTSPVIKIGN-OAYFWEIUSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.65
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-[(3E,5Z)-hepta-1,3,5-trien-3-yl]acetamide
CID 130312596
(3E,5Z)-N-[(2E)-penta-2,4-dien-2-yl]hepta-1,3,5-trien-3-amine
CID 143745515
(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane
CID 142141594
(3E,5Z)-N-but-3-en-2-ylhepta-1,3,5-trien-3-amine
CID 126490180
(3Z)-3-ethenyl-5-fluoro-6-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-4-yl]hepta-1,3,5-trien-2-amine
CID 134187592
(4E,6Z)-4-ethenyl-2-methylocta-1,4,6-trien-3-amine
CID 145148442
(3Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-3-methylnona-1,3,5,7-tetraene
CID 143450830
(3E,5E)-5-methyl-4-(2-methylprop-1-enyl)hepta-1,3,5-triene;2-methylprop-1-ene
CID 145084026
methane;(2Z,4E,6E,8E)-5-prop-1-en-2-yldeca-2,4,6,8-tetraene
CID 163241404
N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazole-5-carboxamide
CID 142262030
(3E,4Z)-3-ethylidene-N-prop-1-en-2-ylhepta-1,4,6-trien-2-amine
CID 170141332
(3Z,5E,6E,8Z)-6-ethenyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 142285656

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylhexa-1,4-dien-2-amine?
The IUPAC name of (3E)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylhexa-1,4-dien-2-amine (CID 143052438) is (3E)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylhexa-1,4-dien-2-amine.
What is the SMILES notation for (3E)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylhexa-1,4-dien-2-amine?
The canonical SMILES for (3E)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylhexa-1,4-dien-2-amine is C=C/C(=C\C=C/C)NC(=C)/C(C=C(C)C)=C/C.
What is the InChIKey of (3E)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylhexa-1,4-dien-2-amine?
The InChIKey is MFJKLTSPVIKIGN-OAYFWEIUSA-N. The full InChI is InChI=1S/C16H23N/c1-7-10-11-16(9-3)17-14(6)15(8-2)12-13(4)5/h7-12,17H,3,6H2,1-2,4-5H3/b10-7-,15-8+,16-11+.
What are the key properties of (3E)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylhexa-1,4-dien-2-amine?
(3E)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylhexa-1,4-dien-2-amine has a molecular weight of 229.37 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylhexa-1,4-dien-2-amine is sourced from PubChem (CID 143052438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).