(2E,4Z)-N,4-dimethyl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine

C13H23N — CID 134268678

IUPAC(2E,4Z)-N,4-dimethyl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine
SMILESC/C=C\C(=C/C(C)=C\CCC)CNC
InChIInChI=1S/C13H23N/c1-5-7-9-12(3)10-13(8-6-2)11-14-4/h6,8-10,14H,5,7,11H2,1-4H3/b8-6-,12-9-,13-10+
InChIKeyQIZZILYFAKPDIQ-BUBKNYOGSA-N
MW193.33 g/mol
LogP3.45
Rot. Bonds6

About (2E,4Z)-N,4-dimethyl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine

(2E,4Z)-N,4-dimethyl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine (PubChem CID 134268678) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (2E,4Z)-N,4-dimethyl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-N,4-dimethyl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine
PubChem CID134268678
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(2E,4Z)-N,4-dimethyl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine
SMILESC/C=C\C(=C/C(C)=C\CCC)CNC
InChIInChI=1S/C13H23N/c1-5-7-9-12(3)10-13(8-6-2)11-14-4/h6,8-10,14H,5,7,11H2,1-4H3/b8-6-,12-9-,13-10+
InChIKeyQIZZILYFAKPDIQ-BUBKNYOGSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.45
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 (2E,4Z)-N,4-dimethyl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine?
The IUPAC name of (2E,4Z)-N,4-dimethyl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine (CID 134268678) is (2E,4Z)-N,4-dimethyl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4Z)-N,4-dimethyl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine?
The canonical SMILES for (2E,4Z)-N,4-dimethyl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine is C/C=C\C(=C/C(C)=C\CCC)CNC.
What is the InChIKey of (2E,4Z)-N,4-dimethyl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine?
The InChIKey is QIZZILYFAKPDIQ-BUBKNYOGSA-N. The full InChI is InChI=1S/C13H23N/c1-5-7-9-12(3)10-13(8-6-2)11-14-4/h6,8-10,14H,5,7,11H2,1-4H3/b8-6-,12-9-,13-10+.
What are the key properties of (2E,4Z)-N,4-dimethyl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine?
(2E,4Z)-N,4-dimethyl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N,4-dimethyl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine is sourced from PubChem (CID 134268678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).