(2Z,4E)-4-methoxypenta-2,4-diene-1,2,5-triamine

C6H13N3O — CID 164593356

IUPAC(2Z,4E)-4-methoxypenta-2,4-diene-1,2,5-triamine
SMILESCOC(/C=C(\N)CN)=C/N
InChIInChI=1S/C6H13N3O/c1-10-6(4-8)2-5(9)3-7/h2,4H,3,7-9H2,1H3/b5-2-,6-4+
InChIKeyZSZQHJGABQSZQL-HKEQSYRLSA-N
MW143.19 g/mol
LogP-0.77
Rot. Bonds3

About (2Z,4E)-4-methoxypenta-2,4-diene-1,2,5-triamine

(2Z,4E)-4-methoxypenta-2,4-diene-1,2,5-triamine (PubChem CID 164593356) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is (2Z,4E)-4-methoxypenta-2,4-diene-1,2,5-triamine.

Molecular Properties

Compound Name(2Z,4E)-4-methoxypenta-2,4-diene-1,2,5-triamine
PubChem CID164593356
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name(2Z,4E)-4-methoxypenta-2,4-diene-1,2,5-triamine
SMILESCOC(/C=C(\N)CN)=C/N
InChIInChI=1S/C6H13N3O/c1-10-6(4-8)2-5(9)3-7/h2,4H,3,7-9H2,1H3/b5-2-,6-4+
InChIKeyZSZQHJGABQSZQL-HKEQSYRLSA-N
XLogP-0.77
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3,4-diamino-N-ethylbut-2-enamide;N-methylmethanamine
CID 173249574
(1Z,3Z,6E,8Z)-4-ethenyl-2,8-dimethoxyundeca-1,3,6,8,10-pentaene-1,9-diamine
CID 153497948
(2Z,4Z)-4-ethenylhexa-2,4-diene-1,2-diamine
CID 146360770
methyl (E)-3-amino-4-fluorobut-2-enoate
CID 19988854
(E,2E)-4,5-diamino-2-ethylidenepent-3-enenitrile
CID 163722687
(1E,3E)-1-bromo-3-propan-2-yloxybuta-1,3-diene-1,4-diamine
CID 144666196
(4-amino-2-methoxy-4-oxobut-2-enylidene)azanium
CID 163489386
ethane;(3E)-4-methoxyhexa-1,3,5-trien-2-amine
CID 170974286
ethane;1-methoxyethenamine;2-methylprop-1-en-1-amine
CID 168977027
(2E,4Z)-hexa-2,4-diene-1,2-diamine
CID 89088938
2-(1,2-dimethoxyethenylsilyl)ethanamine
CID 123537400
O-methyl 2-aminoethanethioate
CID 140974503

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-4-methoxypenta-2,4-diene-1,2,5-triamine?
The IUPAC name of (2Z,4E)-4-methoxypenta-2,4-diene-1,2,5-triamine (CID 164593356) is (2Z,4E)-4-methoxypenta-2,4-diene-1,2,5-triamine.
What is the SMILES notation for (2Z,4E)-4-methoxypenta-2,4-diene-1,2,5-triamine?
The canonical SMILES for (2Z,4E)-4-methoxypenta-2,4-diene-1,2,5-triamine is COC(/C=C(\N)CN)=C/N.
What is the InChIKey of (2Z,4E)-4-methoxypenta-2,4-diene-1,2,5-triamine?
The InChIKey is ZSZQHJGABQSZQL-HKEQSYRLSA-N. The full InChI is InChI=1S/C6H13N3O/c1-10-6(4-8)2-5(9)3-7/h2,4H,3,7-9H2,1H3/b5-2-,6-4+.
What are the key properties of (2Z,4E)-4-methoxypenta-2,4-diene-1,2,5-triamine?
(2Z,4E)-4-methoxypenta-2,4-diene-1,2,5-triamine has a molecular weight of 143.19 g/mol, XLogP of -0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-methoxypenta-2,4-diene-1,2,5-triamine is sourced from PubChem (CID 164593356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).