(4E,6Z)-4-ethenyl-2-methylocta-1,4,6-trien-3-amine

C11H17N — CID 145148442

IUPAC(4E,6Z)-4-ethenyl-2-methylocta-1,4,6-trien-3-amine
SMILESC=C/C(=C\C=C/C)C(N)C(=C)C
InChIInChI=1S/C11H17N/c1-5-7-8-10(6-2)11(12)9(3)4/h5-8,11H,2-3,12H2,1,4H3/b7-5-,10-8+
InChIKeyUSXKGLDYPUSNGL-SUTBWYPISA-N
MW163.26 g/mol
LogP2.58
Rot. Bonds4

About (4E,6Z)-4-ethenyl-2-methylocta-1,4,6-trien-3-amine

(4E,6Z)-4-ethenyl-2-methylocta-1,4,6-trien-3-amine (PubChem CID 145148442) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (4E,6Z)-4-ethenyl-2-methylocta-1,4,6-trien-3-amine.

Molecular Properties

Compound Name(4E,6Z)-4-ethenyl-2-methylocta-1,4,6-trien-3-amine
PubChem CID145148442
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(4E,6Z)-4-ethenyl-2-methylocta-1,4,6-trien-3-amine
SMILESC=C/C(=C\C=C/C)C(N)C(=C)C
InChIInChI=1S/C11H17N/c1-5-7-8-10(6-2)11(12)9(3)4/h5-8,11H,2-3,12H2,1,4H3/b7-5-,10-8+
InChIKeyUSXKGLDYPUSNGL-SUTBWYPISA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene
CID 142182203
ethane;(3E,5Z)-3-ethenylhepta-3,5-dien-2-ol
CID 143979742
(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-1-amine
CID 88880590
ethane;(5E)-3-ethenylhepta-1,3,5-triene
CID 143978470
N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]acetamide
CID 130312596
(3E,5Z)-3-iodohepta-1,3,5-triene
CID 89257521
(3E,5Z)-N-but-3-en-2-ylhepta-1,3,5-trien-3-amine
CID 126490180
(3E,5Z)-N-[(2E)-penta-2,4-dien-2-yl]hepta-1,3,5-trien-3-amine
CID 143745515
4-ethenyl-3-morpholin-4-ylocta-4,6-dien-1-amine
CID 91378889
(3E)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylhexa-1,4-dien-2-amine
CID 143052438
ethane;(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-amine
CID 164573224
(1Z,3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-1-amine
CID 126626487

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-4-ethenyl-2-methylocta-1,4,6-trien-3-amine?
The IUPAC name of (4E,6Z)-4-ethenyl-2-methylocta-1,4,6-trien-3-amine (CID 145148442) is (4E,6Z)-4-ethenyl-2-methylocta-1,4,6-trien-3-amine.
What is the SMILES notation for (4E,6Z)-4-ethenyl-2-methylocta-1,4,6-trien-3-amine?
The canonical SMILES for (4E,6Z)-4-ethenyl-2-methylocta-1,4,6-trien-3-amine is C=C/C(=C\C=C/C)C(N)C(=C)C.
What is the InChIKey of (4E,6Z)-4-ethenyl-2-methylocta-1,4,6-trien-3-amine?
The InChIKey is USXKGLDYPUSNGL-SUTBWYPISA-N. The full InChI is InChI=1S/C11H17N/c1-5-7-8-10(6-2)11(12)9(3)4/h5-8,11H,2-3,12H2,1,4H3/b7-5-,10-8+.
What are the key properties of (4E,6Z)-4-ethenyl-2-methylocta-1,4,6-trien-3-amine?
(4E,6Z)-4-ethenyl-2-methylocta-1,4,6-trien-3-amine has a molecular weight of 163.26 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-4-ethenyl-2-methylocta-1,4,6-trien-3-amine is sourced from PubChem (CID 145148442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).