(2E,4Z)-N-[(3Z,5Z)-hepta-3,5-dienyl]-N-[(3E,5Z)-hepta-3,5-dien-3-yl]hepta-2,4-dien-3-amine

C21H33N — CID 88564195

IUPAC(2E,4Z)-N-[(3Z,5Z)-hepta-3,5-dienyl]-N-[(3E,5Z)-hepta-3,5-dien-3-yl]hepta-2,4-dien-3-amine
SMILESC/C=C\C=C/CCN(C(/C=C\CC)=C/C)/C(=C/C=C\C)CC
InChIInChI=1S/C21H33N/c1-6-11-14-15-16-19-22(20(9-4)17-12-7-2)21(10-5)18-13-8-3/h6-7,10-15,17-18H,8-9,16,19H2,1-5H3/b11-6-,12-7-,15-14-,18-13-,20-17+,21-10+
InChIKeySHQOJCAFVLAORV-NLXIPWPZSA-N
MW299.50 g/mol
LogP6.55
Rot. Bonds10

About (2E,4Z)-N-[(3Z,5Z)-hepta-3,5-dienyl]-N-[(3E,5Z)-hepta-3,5-dien-3-yl]hepta-2,4-dien-3-amine

(2E,4Z)-N-[(3Z,5Z)-hepta-3,5-dienyl]-N-[(3E,5Z)-hepta-3,5-dien-3-yl]hepta-2,4-dien-3-amine (PubChem CID 88564195) has the molecular formula C21H33N and a molecular weight of 299.50 g/mol. Its IUPAC name is (2E,4Z)-N-[(3Z,5Z)-hepta-3,5-dienyl]-N-[(3E,5Z)-hepta-3,5-dien-3-yl]hepta-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-N-[(3Z,5Z)-hepta-3,5-dienyl]-N-[(3E,5Z)-hepta-3,5-dien-3-yl]hepta-2,4-dien-3-amine
PubChem CID88564195
Molecular FormulaC21H33N
Molecular Weight299.50 g/mol
Exact Mass299.26
IUPAC Name(2E,4Z)-N-[(3Z,5Z)-hepta-3,5-dienyl]-N-[(3E,5Z)-hepta-3,5-dien-3-yl]hepta-2,4-dien-3-amine
SMILESC/C=C\C=C/CCN(C(/C=C\CC)=C/C)/C(=C/C=C\C)CC
InChIInChI=1S/C21H33N/c1-6-11-14-15-16-19-22(20(9-4)17-12-7-2)21(10-5)18-13-8-3/h6-7,10-15,17-18H,8-9,16,19H2,1-5H3/b11-6-,12-7-,15-14-,18-13-,20-17+,21-10+
InChIKeySHQOJCAFVLAORV-NLXIPWPZSA-N
XLogP6.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.50
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-[(3Z,5Z)-hepta-3,5-dienyl]-N-[(3E,5Z)-hepta-3,5-dien-3-yl]hepta-2,4-dien-3-amine?
The IUPAC name of (2E,4Z)-N-[(3Z,5Z)-hepta-3,5-dienyl]-N-[(3E,5Z)-hepta-3,5-dien-3-yl]hepta-2,4-dien-3-amine (CID 88564195) is (2E,4Z)-N-[(3Z,5Z)-hepta-3,5-dienyl]-N-[(3E,5Z)-hepta-3,5-dien-3-yl]hepta-2,4-dien-3-amine.
What is the SMILES notation for (2E,4Z)-N-[(3Z,5Z)-hepta-3,5-dienyl]-N-[(3E,5Z)-hepta-3,5-dien-3-yl]hepta-2,4-dien-3-amine?
The canonical SMILES for (2E,4Z)-N-[(3Z,5Z)-hepta-3,5-dienyl]-N-[(3E,5Z)-hepta-3,5-dien-3-yl]hepta-2,4-dien-3-amine is C/C=C\C=C/CCN(C(/C=C\CC)=C/C)/C(=C/C=C\C)CC.
What is the InChIKey of (2E,4Z)-N-[(3Z,5Z)-hepta-3,5-dienyl]-N-[(3E,5Z)-hepta-3,5-dien-3-yl]hepta-2,4-dien-3-amine?
The InChIKey is SHQOJCAFVLAORV-NLXIPWPZSA-N. The full InChI is InChI=1S/C21H33N/c1-6-11-14-15-16-19-22(20(9-4)17-12-7-2)21(10-5)18-13-8-3/h6-7,10-15,17-18H,8-9,16,19H2,1-5H3/b11-6-,12-7-,15-14-,18-13-,20-17+,21-10+.
What are the key properties of (2E,4Z)-N-[(3Z,5Z)-hepta-3,5-dienyl]-N-[(3E,5Z)-hepta-3,5-dien-3-yl]hepta-2,4-dien-3-amine?
(2E,4Z)-N-[(3Z,5Z)-hepta-3,5-dienyl]-N-[(3E,5Z)-hepta-3,5-dien-3-yl]hepta-2,4-dien-3-amine has a molecular weight of 299.50 g/mol, XLogP of 6.55, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-[(3Z,5Z)-hepta-3,5-dienyl]-N-[(3E,5Z)-hepta-3,5-dien-3-yl]hepta-2,4-dien-3-amine is sourced from PubChem (CID 88564195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).