(2Z,4E)-6-methyliminohepta-2,4-dien-4-amine

C8H14N2 — CID 138740142

IUPAC(2Z,4E)-6-methyliminohepta-2,4-dien-4-amine
SMILESC/C=C\C(N)=C/C(C)=N/C
InChIInChI=1S/C8H14N2/c1-4-5-8(9)6-7(2)10-3/h4-6H,9H2,1-3H3/b5-4-,8-6+,10-7+
InChIKeyLPIQIQAPLXJLOR-KRMUTCCGSA-N
MW138.21 g/mol
LogP1.50
Rot. Bonds2

About (2Z,4E)-6-methyliminohepta-2,4-dien-4-amine

(2Z,4E)-6-methyliminohepta-2,4-dien-4-amine (PubChem CID 138740142) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (2Z,4E)-6-methyliminohepta-2,4-dien-4-amine.

Molecular Properties

Compound Name(2Z,4E)-6-methyliminohepta-2,4-dien-4-amine
PubChem CID138740142
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(2Z,4E)-6-methyliminohepta-2,4-dien-4-amine
SMILESC/C=C\C(N)=C/C(C)=N/C
InChIInChI=1S/C8H14N2/c1-4-5-8(9)6-7(2)10-3/h4-6H,9H2,1-3H3/b5-4-,8-6+,10-7+
InChIKeyLPIQIQAPLXJLOR-KRMUTCCGSA-N
XLogP1.50
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-5-methyliminohex-3-en-3-amine
CID 171096126
(Z)-2-methyliminopent-3-enamide
CID 126689701
N-[(1E,3E)-2-aminopenta-1,3-dienyl]-N'-methylmethanimidamide
CID 130341577
(1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 142933164
(2Z,4E,6E)-octa-2,4,6-trien-4-amine
CID 89113450
ethane;(Z)-3-methyliminobut-1-en-1-amine
CID 143155642
(1-ethoxyethylideneamino) 2-oxopent-3-enoate
CID 72624007
N-[(Z)-1-aminobut-2-enylidene]acetamide;ethane
CID 144985407
3-methylimino-1-(2-methylpropoxy)but-1-en-1-amine
CID 149274729
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832
N,4,5,5-tetramethylhex-3-en-2-imine
CID 123473117
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-6-methyliminohepta-2,4-dien-4-amine?
The IUPAC name of (2Z,4E)-6-methyliminohepta-2,4-dien-4-amine (CID 138740142) is (2Z,4E)-6-methyliminohepta-2,4-dien-4-amine.
What is the SMILES notation for (2Z,4E)-6-methyliminohepta-2,4-dien-4-amine?
The canonical SMILES for (2Z,4E)-6-methyliminohepta-2,4-dien-4-amine is C/C=C\C(N)=C/C(C)=N/C.
What is the InChIKey of (2Z,4E)-6-methyliminohepta-2,4-dien-4-amine?
The InChIKey is LPIQIQAPLXJLOR-KRMUTCCGSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-5-8(9)6-7(2)10-3/h4-6H,9H2,1-3H3/b5-4-,8-6+,10-7+.
What are the key properties of (2Z,4E)-6-methyliminohepta-2,4-dien-4-amine?
(2Z,4E)-6-methyliminohepta-2,4-dien-4-amine has a molecular weight of 138.21 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-6-methyliminohepta-2,4-dien-4-amine is sourced from PubChem (CID 138740142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).