(2Z,4E)-7-methylocta-2,4,7-trien-4-amine

C9H15N — CID 89010551

IUPAC(2Z,4E)-7-methylocta-2,4,7-trien-4-amine
SMILESC=C(C)C/C=C(N)\C=C/C
InChIInChI=1S/C9H15N/c1-4-5-9(10)7-6-8(2)3/h4-5,7H,2,6,10H2,1,3H3/b5-4-,9-7+
InChIKeyCMIUFZFPKMOSAK-XEQCUQEESA-N
MW137.23 g/mol
LogP2.37
Rot. Bonds3

About (2Z,4E)-7-methylocta-2,4,7-trien-4-amine

(2Z,4E)-7-methylocta-2,4,7-trien-4-amine (PubChem CID 89010551) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (2Z,4E)-7-methylocta-2,4,7-trien-4-amine.

Molecular Properties

Compound Name(2Z,4E)-7-methylocta-2,4,7-trien-4-amine
PubChem CID89010551
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(2Z,4E)-7-methylocta-2,4,7-trien-4-amine
SMILESC=C(C)C/C=C(N)\C=C/C
InChIInChI=1S/C9H15N/c1-4-5-9(10)7-6-8(2)3/h4-5,7H,2,6,10H2,1,3H3/b5-4-,9-7+
InChIKeyCMIUFZFPKMOSAK-XEQCUQEESA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.37
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

2-(4-aminohepta-3,5-dienyl)guanidine
CID 88665235
(4E)-2-methylhexa-1,4-diene
CID 5367524
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725
3,6-dimethylhepta-1,3,6-triene
CID 123605214
(3E,5Z)-3-ethyl-2-methylhepta-1,3,5-trien-4-amine
CID 138613612
(1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 142933164
ethane;(3E,5Z)-4-methylhepta-1,3,5-trien-2-amine
CID 143375975
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
(E)-but-2-ene;2-methylbut-1-ene
CID 160732245
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
but-2-ene;2-methylbut-1-ene
CID 160732246
(3E)-2,3,4-trimethylhepta-1,3,5-triene
CID 161260818

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-7-methylocta-2,4,7-trien-4-amine?
The IUPAC name of (2Z,4E)-7-methylocta-2,4,7-trien-4-amine (CID 89010551) is (2Z,4E)-7-methylocta-2,4,7-trien-4-amine.
What is the SMILES notation for (2Z,4E)-7-methylocta-2,4,7-trien-4-amine?
The canonical SMILES for (2Z,4E)-7-methylocta-2,4,7-trien-4-amine is C=C(C)C/C=C(N)\C=C/C.
What is the InChIKey of (2Z,4E)-7-methylocta-2,4,7-trien-4-amine?
The InChIKey is CMIUFZFPKMOSAK-XEQCUQEESA-N. The full InChI is InChI=1S/C9H15N/c1-4-5-9(10)7-6-8(2)3/h4-5,7H,2,6,10H2,1,3H3/b5-4-,9-7+.
What are the key properties of (2Z,4E)-7-methylocta-2,4,7-trien-4-amine?
(2Z,4E)-7-methylocta-2,4,7-trien-4-amine has a molecular weight of 137.23 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-7-methylocta-2,4,7-trien-4-amine is sourced from PubChem (CID 89010551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).