(3E)-3-ethylhexa-3,5-dien-2-amine

C8H15N — CID 149492466

IUPAC(3E)-3-ethylhexa-3,5-dien-2-amine
SMILESC=C/C=C(\CC)C(C)N
InChIInChI=1S/C8H15N/c1-4-6-8(5-2)7(3)9/h4,6-7H,1,5,9H2,2-3H3/b8-6+
InChIKeyZFJKYJMAKBJNIO-SOFGYWHQSA-N
MW125.21 g/mol
LogP1.86
Rot. Bonds3

About (3E)-3-ethylhexa-3,5-dien-2-amine

(3E)-3-ethylhexa-3,5-dien-2-amine (PubChem CID 149492466) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (3E)-3-ethylhexa-3,5-dien-2-amine.

Molecular Properties

Compound Name(3E)-3-ethylhexa-3,5-dien-2-amine
PubChem CID149492466
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(3E)-3-ethylhexa-3,5-dien-2-amine
SMILESC=C/C=C(\CC)C(C)N
InChIInChI=1S/C8H15N/c1-4-6-8(5-2)7(3)9/h4,6-7H,1,5,9H2,2-3H3/b8-6+
InChIKeyZFJKYJMAKBJNIO-SOFGYWHQSA-N
XLogP1.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.86
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

(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 142915962
ethane;(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 143713384
(Z)-3-ethylpent-3-en-2-amine
CID 154025587
(Z,3E)-7-methoxy-3-prop-2-enylidenehept-5-en-2-amine
CID 143427083
N-[(2R,3E)-3-ethylhexa-3,5-dien-2-yl]methanimine
CID 130323388
(2R,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 142221873
(2S,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 126549063
ethene;(3E)-3-ethyl-2-N-methylhexa-3,5-diene-1,2-diamine
CID 143109979
ethane;(3E)-4-ethyl-6,6,6-trifluoro-5-methylhexa-1,3-diene
CID 142269776
(4E)-4-methylhepta-4,6-dien-2-amine
CID 144723501
(3Z)-4-ethoxy-5-methylhexa-1,3-diene
CID 166091166
2-prop-2-enylidenebutane-1,3-diol
CID 175263998

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethylhexa-3,5-dien-2-amine?
The IUPAC name of (3E)-3-ethylhexa-3,5-dien-2-amine (CID 149492466) is (3E)-3-ethylhexa-3,5-dien-2-amine.
What is the SMILES notation for (3E)-3-ethylhexa-3,5-dien-2-amine?
The canonical SMILES for (3E)-3-ethylhexa-3,5-dien-2-amine is C=C/C=C(\CC)C(C)N.
What is the InChIKey of (3E)-3-ethylhexa-3,5-dien-2-amine?
The InChIKey is ZFJKYJMAKBJNIO-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H15N/c1-4-6-8(5-2)7(3)9/h4,6-7H,1,5,9H2,2-3H3/b8-6+.
What are the key properties of (3E)-3-ethylhexa-3,5-dien-2-amine?
(3E)-3-ethylhexa-3,5-dien-2-amine has a molecular weight of 125.21 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethylhexa-3,5-dien-2-amine is sourced from PubChem (CID 149492466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).