(Z)-1-N-methyl-1-(methylideneamino)but-1-ene-1,3-diamine

C6H13N3 — CID 90453242

IUPAC(Z)-1-N-methyl-1-(methylideneamino)but-1-ene-1,3-diamine
SMILESC=N/C(=C\C(C)N)NC
InChIInChI=1S/C6H13N3/c1-5(7)4-6(8-2)9-3/h4-5,9H,2,7H2,1,3H3/b6-4+
InChIKeyBLQKZTRYNPDUFC-GQCTYLIASA-N
MW127.19 g/mol
LogP0.09
Rot. Bonds3

About (Z)-1-N-methyl-1-(methylideneamino)but-1-ene-1,3-diamine

(Z)-1-N-methyl-1-(methylideneamino)but-1-ene-1,3-diamine (PubChem CID 90453242) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is (Z)-1-N-methyl-1-(methylideneamino)but-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-1-N-methyl-1-(methylideneamino)but-1-ene-1,3-diamine
PubChem CID90453242
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name(Z)-1-N-methyl-1-(methylideneamino)but-1-ene-1,3-diamine
SMILESC=N/C(=C\C(C)N)NC
InChIInChI=1S/C6H13N3/c1-5(7)4-6(8-2)9-3/h4-5,9H,2,7H2,1,3H3/b6-4+
InChIKeyBLQKZTRYNPDUFC-GQCTYLIASA-N
XLogP0.09
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-methyl-1-(methylideneamino)but-1-ene-1,3-diamine?
The IUPAC name of (Z)-1-N-methyl-1-(methylideneamino)but-1-ene-1,3-diamine (CID 90453242) is (Z)-1-N-methyl-1-(methylideneamino)but-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-1-N-methyl-1-(methylideneamino)but-1-ene-1,3-diamine?
The canonical SMILES for (Z)-1-N-methyl-1-(methylideneamino)but-1-ene-1,3-diamine is C=N/C(=C\C(C)N)NC.
What is the InChIKey of (Z)-1-N-methyl-1-(methylideneamino)but-1-ene-1,3-diamine?
The InChIKey is BLQKZTRYNPDUFC-GQCTYLIASA-N. The full InChI is InChI=1S/C6H13N3/c1-5(7)4-6(8-2)9-3/h4-5,9H,2,7H2,1,3H3/b6-4+.
What are the key properties of (Z)-1-N-methyl-1-(methylideneamino)but-1-ene-1,3-diamine?
(Z)-1-N-methyl-1-(methylideneamino)but-1-ene-1,3-diamine has a molecular weight of 127.19 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-methyl-1-(methylideneamino)but-1-ene-1,3-diamine is sourced from PubChem (CID 90453242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).