(1Z,4Z)-1-[amino(methyl)amino]hexa-1,4-dien-2-amine

C7H15N3 — CID 122546031

IUPAC(1Z,4Z)-1-[amino(methyl)amino]hexa-1,4-dien-2-amine
SMILESC/C=C\C/C(N)=C/N(C)N
InChIInChI=1S/C7H15N3/c1-3-4-5-7(8)6-10(2)9/h3-4,6H,5,8-9H2,1-2H3/b4-3-,7-6-
InChIKeyMIPOPINNXPFWJK-CWWKMNTPSA-N
MW141.22 g/mol
LogP0.56
Rot. Bonds3

About (1Z,4Z)-1-[amino(methyl)amino]hexa-1,4-dien-2-amine

(1Z,4Z)-1-[amino(methyl)amino]hexa-1,4-dien-2-amine (PubChem CID 122546031) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is (1Z,4Z)-1-[amino(methyl)amino]hexa-1,4-dien-2-amine.

Molecular Properties

Compound Name(1Z,4Z)-1-[amino(methyl)amino]hexa-1,4-dien-2-amine
PubChem CID122546031
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name(1Z,4Z)-1-[amino(methyl)amino]hexa-1,4-dien-2-amine
SMILESC/C=C\C/C(N)=C/N(C)N
InChIInChI=1S/C7H15N3/c1-3-4-5-7(8)6-10(2)9/h3-4,6H,5,8-9H2,1-2H3/b4-3-,7-6-
InChIKeyMIPOPINNXPFWJK-CWWKMNTPSA-N
XLogP0.56
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,4Z)-1-[amino(methyl)amino]hexa-1,4-dien-2-amine?
The IUPAC name of (1Z,4Z)-1-[amino(methyl)amino]hexa-1,4-dien-2-amine (CID 122546031) is (1Z,4Z)-1-[amino(methyl)amino]hexa-1,4-dien-2-amine.
What is the SMILES notation for (1Z,4Z)-1-[amino(methyl)amino]hexa-1,4-dien-2-amine?
The canonical SMILES for (1Z,4Z)-1-[amino(methyl)amino]hexa-1,4-dien-2-amine is C/C=C\C/C(N)=C/N(C)N.
What is the InChIKey of (1Z,4Z)-1-[amino(methyl)amino]hexa-1,4-dien-2-amine?
The InChIKey is MIPOPINNXPFWJK-CWWKMNTPSA-N. The full InChI is InChI=1S/C7H15N3/c1-3-4-5-7(8)6-10(2)9/h3-4,6H,5,8-9H2,1-2H3/b4-3-,7-6-.
What are the key properties of (1Z,4Z)-1-[amino(methyl)amino]hexa-1,4-dien-2-amine?
(1Z,4Z)-1-[amino(methyl)amino]hexa-1,4-dien-2-amine has a molecular weight of 141.22 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4Z)-1-[amino(methyl)amino]hexa-1,4-dien-2-amine is sourced from PubChem (CID 122546031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).