(2R,3E)-3-ethenylhexa-3,5-dien-2-amine

C8H13N — CID 142221873

IUPAC(2R,3E)-3-ethenylhexa-3,5-dien-2-amine
SMILESC=C/C=C(\C=C)[C@@H](C)N
InChIInChI=1S/C8H13N/c1-4-6-8(5-2)7(3)9/h4-7H,1-2,9H2,3H3/b8-6+/t7-/m1/s1
InChIKeyQWIXUYJEMJHDAP-UQBZRGDZSA-N
MW123.20 g/mol
LogP1.63
Rot. Bonds3

About (2R,3E)-3-ethenylhexa-3,5-dien-2-amine

(2R,3E)-3-ethenylhexa-3,5-dien-2-amine (PubChem CID 142221873) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (2R,3E)-3-ethenylhexa-3,5-dien-2-amine.

Molecular Properties

Compound Name(2R,3E)-3-ethenylhexa-3,5-dien-2-amine
PubChem CID142221873
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(2R,3E)-3-ethenylhexa-3,5-dien-2-amine
SMILESC=C/C=C(\C=C)[C@@H](C)N
InChIInChI=1S/C8H13N/c1-4-6-8(5-2)7(3)9/h4-7H,1-2,9H2,3H3/b8-6+/t7-/m1/s1
InChIKeyQWIXUYJEMJHDAP-UQBZRGDZSA-N
XLogP1.63
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 ≤ 51.63
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

(2S,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 126549063
ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
CID 142253668
ethane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 142182204
ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 162518558
(3E)-3-ethylhexa-3,5-dien-2-amine
CID 149492466
(E)-3-ethenyl-5-(2-methylhydrazinyl)pent-3-en-2-amine
CID 138702842
(2S,3E)-3-ethenyl-N,2-dimethylhexa-3,5-dien-1-amine
CID 154678805
ethane;(3E)-3-ethenylhexa-3,5-diene-1,2-diol
CID 145139860
(2R,3R)-2-amino-1-(dimethylamino)-4-ethenylhepta-4,6-dien-3-ol
CID 123741995
(3R,4E)-4-ethenyl-3-methylhepta-4,6-dienoic acid
CID 145439672
(2R)-1-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylpropan-2-amine
CID 163480350
N-[(2R,3E)-3-ethenylhexa-3,5-dien-2-yl]formamide;methanol
CID 143631553

Frequently Asked Questions

What is the IUPAC name of (2R,3E)-3-ethenylhexa-3,5-dien-2-amine?
The IUPAC name of (2R,3E)-3-ethenylhexa-3,5-dien-2-amine (CID 142221873) is (2R,3E)-3-ethenylhexa-3,5-dien-2-amine.
What is the SMILES notation for (2R,3E)-3-ethenylhexa-3,5-dien-2-amine?
The canonical SMILES for (2R,3E)-3-ethenylhexa-3,5-dien-2-amine is C=C/C=C(\C=C)[C@@H](C)N.
What is the InChIKey of (2R,3E)-3-ethenylhexa-3,5-dien-2-amine?
The InChIKey is QWIXUYJEMJHDAP-UQBZRGDZSA-N. The full InChI is InChI=1S/C8H13N/c1-4-6-8(5-2)7(3)9/h4-7H,1-2,9H2,3H3/b8-6+/t7-/m1/s1.
What are the key properties of (2R,3E)-3-ethenylhexa-3,5-dien-2-amine?
(2R,3E)-3-ethenylhexa-3,5-dien-2-amine has a molecular weight of 123.20 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3E)-3-ethenylhexa-3,5-dien-2-amine is sourced from PubChem (CID 142221873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).