(1Z)-3-N-amino-4-methyl-3-N-(methylamino)penta-1,3-diene-1,3-diamine

C7H16N4 — CID 170048759

IUPAC(1Z)-3-N-amino-4-methyl-3-N-(methylamino)penta-1,3-diene-1,3-diamine
SMILESCNN(N)C(/C=C\N)=C(C)C
InChIInChI=1S/C7H16N4/c1-6(2)7(4-5-8)11(9)10-3/h4-5,10H,8-9H2,1-3H3/b5-4-
InChIKeyZWDQCFGIHGGRKY-PLNGDYQASA-N
MW156.23 g/mol
LogP0.06
Rot. Bonds3

About (1Z)-3-N-amino-4-methyl-3-N-(methylamino)penta-1,3-diene-1,3-diamine

(1Z)-3-N-amino-4-methyl-3-N-(methylamino)penta-1,3-diene-1,3-diamine (PubChem CID 170048759) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is (1Z)-3-N-amino-4-methyl-3-N-(methylamino)penta-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name(1Z)-3-N-amino-4-methyl-3-N-(methylamino)penta-1,3-diene-1,3-diamine
PubChem CID170048759
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC Name(1Z)-3-N-amino-4-methyl-3-N-(methylamino)penta-1,3-diene-1,3-diamine
SMILESCNN(N)C(/C=C\N)=C(C)C
InChIInChI=1S/C7H16N4/c1-6(2)7(4-5-8)11(9)10-3/h4-5,10H,8-9H2,1-3H3/b5-4-
InChIKeyZWDQCFGIHGGRKY-PLNGDYQASA-N
XLogP0.06
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-3-N-amino-4-methyl-3-N-(methylamino)penta-1,3-diene-1,3-diamine?
The IUPAC name of (1Z)-3-N-amino-4-methyl-3-N-(methylamino)penta-1,3-diene-1,3-diamine (CID 170048759) is (1Z)-3-N-amino-4-methyl-3-N-(methylamino)penta-1,3-diene-1,3-diamine.
What is the SMILES notation for (1Z)-3-N-amino-4-methyl-3-N-(methylamino)penta-1,3-diene-1,3-diamine?
The canonical SMILES for (1Z)-3-N-amino-4-methyl-3-N-(methylamino)penta-1,3-diene-1,3-diamine is CNN(N)C(/C=C\N)=C(C)C.
What is the InChIKey of (1Z)-3-N-amino-4-methyl-3-N-(methylamino)penta-1,3-diene-1,3-diamine?
The InChIKey is ZWDQCFGIHGGRKY-PLNGDYQASA-N. The full InChI is InChI=1S/C7H16N4/c1-6(2)7(4-5-8)11(9)10-3/h4-5,10H,8-9H2,1-3H3/b5-4-.
What are the key properties of (1Z)-3-N-amino-4-methyl-3-N-(methylamino)penta-1,3-diene-1,3-diamine?
(1Z)-3-N-amino-4-methyl-3-N-(methylamino)penta-1,3-diene-1,3-diamine has a molecular weight of 156.23 g/mol, XLogP of 0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-N-amino-4-methyl-3-N-(methylamino)penta-1,3-diene-1,3-diamine is sourced from PubChem (CID 170048759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).