(3E,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N,3-dimethylocta-3,5-dien-1-amine

C17H27N — CID 89291372

IUPAC(3E,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N,3-dimethylocta-3,5-dien-1-amine
SMILESC=C/C=C\C(=C/C)C(CNC)/C(C)=C/C=C\CC
InChIInChI=1S/C17H27N/c1-6-9-11-12-15(4)17(14-18-5)16(8-3)13-10-7-2/h7-13,17-18H,2,6,14H2,1,3-5H3/b11-9-,13-10-,15-12+,16-8+
InChIKeyBZBHLVMYFNPOJI-ZFFISTQTSA-N
MW245.41 g/mol
LogP4.42
Rot. Bonds8

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

(3E,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N,3-dimethylocta-3,5-dien-1-amine (PubChem CID 89291372) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is (3E,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N,3-dimethylocta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3E,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N,3-dimethylocta-3,5-dien-1-amine
PubChem CID89291372
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name(3E,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N,3-dimethylocta-3,5-dien-1-amine
SMILESC=C/C=C\C(=C/C)C(CNC)/C(C)=C/C=C\CC
InChIInChI=1S/C17H27N/c1-6-9-11-12-15(4)17(14-18-5)16(8-3)13-10-7-2/h7-13,17-18H,2,6,14H2,1,3-5H3/b11-9-,13-10-,15-12+,16-8+
InChIKeyBZBHLVMYFNPOJI-ZFFISTQTSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
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 (3E,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N,3-dimethylocta-3,5-dien-1-amine?
The IUPAC name of (3E,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N,3-dimethylocta-3,5-dien-1-amine (CID 89291372) is (3E,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N,3-dimethylocta-3,5-dien-1-amine.
What is the SMILES notation for (3E,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N,3-dimethylocta-3,5-dien-1-amine?
The canonical SMILES for (3E,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N,3-dimethylocta-3,5-dien-1-amine is C=C/C=C\C(=C/C)C(CNC)/C(C)=C/C=C\CC.
What is the InChIKey of (3E,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N,3-dimethylocta-3,5-dien-1-amine?
The InChIKey is BZBHLVMYFNPOJI-ZFFISTQTSA-N. The full InChI is InChI=1S/C17H27N/c1-6-9-11-12-15(4)17(14-18-5)16(8-3)13-10-7-2/h7-13,17-18H,2,6,14H2,1,3-5H3/b11-9-,13-10-,15-12+,16-8+.
What are the key properties of (3E,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N,3-dimethylocta-3,5-dien-1-amine?
(3E,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N,3-dimethylocta-3,5-dien-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N,3-dimethylocta-3,5-dien-1-amine is sourced from PubChem (CID 89291372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).