(3E,5Z)-N-(1-cyclopropylethyl)octa-1,3,5,7-tetraen-4-amine

C13H19N — CID 89412153

IUPAC(3E,5Z)-N-(1-cyclopropylethyl)octa-1,3,5,7-tetraen-4-amine
SMILESC=C/C=C\C(=C/C=C)NC(C)C1CC1
InChIInChI=1S/C13H19N/c1-4-6-8-13(7-5-2)14-11(3)12-9-10-12/h4-8,11-12,14H,1-2,9-10H2,3H3/b8-6-,13-7+
InChIKeyBOFKLHUFUWVDSL-WNDPTYLVSA-N
MW189.30 g/mol
LogP3.19
Rot. Bonds6

About (3E,5Z)-N-(1-cyclopropylethyl)octa-1,3,5,7-tetraen-4-amine

(3E,5Z)-N-(1-cyclopropylethyl)octa-1,3,5,7-tetraen-4-amine (PubChem CID 89412153) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (3E,5Z)-N-(1-cyclopropylethyl)octa-1,3,5,7-tetraen-4-amine.

Molecular Properties

Compound Name(3E,5Z)-N-(1-cyclopropylethyl)octa-1,3,5,7-tetraen-4-amine
PubChem CID89412153
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(3E,5Z)-N-(1-cyclopropylethyl)octa-1,3,5,7-tetraen-4-amine
SMILESC=C/C=C\C(=C/C=C)NC(C)C1CC1
InChIInChI=1S/C13H19N/c1-4-6-8-13(7-5-2)14-11(3)12-9-10-12/h4-8,11-12,14H,1-2,9-10H2,3H3/b8-6-,13-7+
InChIKeyBOFKLHUFUWVDSL-WNDPTYLVSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.19
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)-N-(1-cyclopropylethyl)octa-1,3,5,7-tetraen-4-amine?
The IUPAC name of (3E,5Z)-N-(1-cyclopropylethyl)octa-1,3,5,7-tetraen-4-amine (CID 89412153) is (3E,5Z)-N-(1-cyclopropylethyl)octa-1,3,5,7-tetraen-4-amine.
What is the SMILES notation for (3E,5Z)-N-(1-cyclopropylethyl)octa-1,3,5,7-tetraen-4-amine?
The canonical SMILES for (3E,5Z)-N-(1-cyclopropylethyl)octa-1,3,5,7-tetraen-4-amine is C=C/C=C\C(=C/C=C)NC(C)C1CC1.
What is the InChIKey of (3E,5Z)-N-(1-cyclopropylethyl)octa-1,3,5,7-tetraen-4-amine?
The InChIKey is BOFKLHUFUWVDSL-WNDPTYLVSA-N. The full InChI is InChI=1S/C13H19N/c1-4-6-8-13(7-5-2)14-11(3)12-9-10-12/h4-8,11-12,14H,1-2,9-10H2,3H3/b8-6-,13-7+.
What are the key properties of (3E,5Z)-N-(1-cyclopropylethyl)octa-1,3,5,7-tetraen-4-amine?
(3E,5Z)-N-(1-cyclopropylethyl)octa-1,3,5,7-tetraen-4-amine has a molecular weight of 189.30 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-(1-cyclopropylethyl)octa-1,3,5,7-tetraen-4-amine is sourced from PubChem (CID 89412153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).