(5Z)-N-ethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine

C13H23N — CID 142416961

IUPAC(5Z)-N-ethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine
SMILESC=C/C=C(\C=C/C)CC(CC)NCC
InChIInChI=1S/C13H23N/c1-5-9-12(10-6-2)11-13(7-3)14-8-4/h5-6,9-10,13-14H,1,7-8,11H2,2-4H3/b10-6-,12-9+
InChIKeyWLTGCTFWPBVMRF-ZQNGMKBSSA-N
MW193.33 g/mol
LogP3.45
Rot. Bonds7

About (5Z)-N-ethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine

(5Z)-N-ethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine (PubChem CID 142416961) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (5Z)-N-ethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine.

Molecular Properties

Compound Name(5Z)-N-ethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine
PubChem CID142416961
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(5Z)-N-ethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine
SMILESC=C/C=C(\C=C/C)CC(CC)NCC
InChIInChI=1S/C13H23N/c1-5-9-12(10-6-2)11-13(7-3)14-8-4/h5-6,9-10,13-14H,1,7-8,11H2,2-4H3/b10-6-,12-9+
InChIKeyWLTGCTFWPBVMRF-ZQNGMKBSSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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'}

Analyze (5Z)-N-ethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine with MolForge

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Related Compounds

acetylene;N,2-dimethylcyclohexan-1-imine;(5Z)-N-ethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine;(Z)-N'-methylbut-2-ene-1,4-diamine;propane
CID 142416960
(3E,5Z)-4-(2-methylbutoxymethyl)hepta-1,3,5-triene
CID 143465864
(3Z)-N-propan-2-yl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 134516324
ethane;(3E,5Z)-4-(methylsulfanylmethyl)hepta-1,3,5-triene
CID 142823912
(3Z,6Z,7Z)-6-ethylidene-4-[(Z)-prop-1-enyl]deca-1,3,7-triene
CID 144556498
ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene
CID 142022123
N-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 166868320
N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 142294235
(3Z,6Z,7Z)-4-ethenyl-6-(methoxymethylidene)nona-1,3,7-triene
CID 143921031
propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene
CID 143651334
ethane;(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dienenitrile
CID 142107986
(3E,5E,7E)-4-ethylnona-1,3,5,7-tetraene
CID 143912648

Frequently Asked Questions

What is the IUPAC name of (5Z)-N-ethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine?
The IUPAC name of (5Z)-N-ethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine (CID 142416961) is (5Z)-N-ethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine.
What is the SMILES notation for (5Z)-N-ethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine?
The canonical SMILES for (5Z)-N-ethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine is C=C/C=C(\C=C/C)CC(CC)NCC.
What is the InChIKey of (5Z)-N-ethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine?
The InChIKey is WLTGCTFWPBVMRF-ZQNGMKBSSA-N. The full InChI is InChI=1S/C13H23N/c1-5-9-12(10-6-2)11-13(7-3)14-8-4/h5-6,9-10,13-14H,1,7-8,11H2,2-4H3/b10-6-,12-9+.
What are the key properties of (5Z)-N-ethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine?
(5Z)-N-ethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine has a molecular weight of 193.33 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N-ethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine is sourced from PubChem (CID 142416961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).