(3Z)-3-ethylhexa-1,3,5-trien-2-amine

C8H13N — CID 143431961

IUPAC(3Z)-3-ethylhexa-1,3,5-trien-2-amine
SMILESC=C/C=C(/CC)C(=C)N
InChIInChI=1S/C8H13N/c1-4-6-8(5-2)7(3)9/h4,6H,1,3,5,9H2,2H3/b8-6-
InChIKeyZXWIBQTWLTVBDG-VURMDHGXSA-N
MW123.20 g/mol
LogP1.98
Rot. Bonds3

About (3Z)-3-ethylhexa-1,3,5-trien-2-amine

(3Z)-3-ethylhexa-1,3,5-trien-2-amine (PubChem CID 143431961) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (3Z)-3-ethylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-3-ethylhexa-1,3,5-trien-2-amine
PubChem CID143431961
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(3Z)-3-ethylhexa-1,3,5-trien-2-amine
SMILESC=C/C=C(/CC)C(=C)N
InChIInChI=1S/C8H13N/c1-4-6-8(5-2)7(3)9/h4,6H,1,3,5,9H2,2H3/b8-6-
InChIKeyZXWIBQTWLTVBDG-VURMDHGXSA-N
XLogP1.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3Z,6E)-6-ethyl-5-methylidenenona-1,3,6,8-tetraen-2-amine
CID 142290491
(2E)-2-ethylpenta-2,4-dienoic acid
CID 118517754
N-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide
CID 177208233
ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene
CID 143333904
(2E)-penta-2,4-dien-2-amine;propane
CID 143277472
(3E)-5-ethylocta-1,3,7-trien-4-amine
CID 134331827
ethane;(2E,4Z)-4-ethyl-N-methylhepta-2,4,6-trien-3-amine
CID 156719624
(3E,5E,6Z)-4-ethyl-5-ethylidenenona-1,3,6,8-tetraene
CID 143006429
(3E)-3-ethylhexa-3,5-dien-2-amine
CID 149492466
(5Z,6Z)-6-ethyl-5-ethylidene-N,N-dimethylnona-6,8-dien-1-amine
CID 139492686
(3E)-2-N,2-N-dimethylhexa-1,3,5-triene-2,3-diamine
CID 130371607
ethane;(2E)-2-prop-1-en-2-ylpenta-2,4-dien-1-ol
CID 144981154

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-3-ethylhexa-1,3,5-trien-2-amine (CID 143431961) is (3Z)-3-ethylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-3-ethylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-3-ethylhexa-1,3,5-trien-2-amine is C=C/C=C(/CC)C(=C)N.
What is the InChIKey of (3Z)-3-ethylhexa-1,3,5-trien-2-amine?
The InChIKey is ZXWIBQTWLTVBDG-VURMDHGXSA-N. The full InChI is InChI=1S/C8H13N/c1-4-6-8(5-2)7(3)9/h4,6H,1,3,5,9H2,2H3/b8-6-.
What are the key properties of (3Z)-3-ethylhexa-1,3,5-trien-2-amine?
(3Z)-3-ethylhexa-1,3,5-trien-2-amine has a molecular weight of 123.20 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 143431961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).