(Z)-2-(methyliminomethyl)but-2-ene-1,3-diamine

C6H13N3 — CID 143626271

IUPAC(Z)-2-(methyliminomethyl)but-2-ene-1,3-diamine
SMILESC/N=C/C(CN)=C(/C)N
InChIInChI=1S/C6H13N3/c1-5(8)6(3-7)4-9-2/h4H,3,7-8H2,1-2H3/b6-5-,9-4+
InChIKeyHEKYOOTXENGKNG-CXBDEZGUSA-N
MW127.19 g/mol
LogP-0.12
Rot. Bonds2

About (Z)-2-(methyliminomethyl)but-2-ene-1,3-diamine

(Z)-2-(methyliminomethyl)but-2-ene-1,3-diamine (PubChem CID 143626271) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is (Z)-2-(methyliminomethyl)but-2-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-2-(methyliminomethyl)but-2-ene-1,3-diamine
PubChem CID143626271
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name(Z)-2-(methyliminomethyl)but-2-ene-1,3-diamine
SMILESC/N=C/C(CN)=C(/C)N
InChIInChI=1S/C6H13N3/c1-5(8)6(3-7)4-9-2/h4H,3,7-8H2,1-2H3/b6-5-,9-4+
InChIKeyHEKYOOTXENGKNG-CXBDEZGUSA-N
XLogP-0.12
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.12
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)-2-(methyliminomethyl)but-2-ene-1,3-diamine?
The IUPAC name of (Z)-2-(methyliminomethyl)but-2-ene-1,3-diamine (CID 143626271) is (Z)-2-(methyliminomethyl)but-2-ene-1,3-diamine.
What is the SMILES notation for (Z)-2-(methyliminomethyl)but-2-ene-1,3-diamine?
The canonical SMILES for (Z)-2-(methyliminomethyl)but-2-ene-1,3-diamine is C/N=C/C(CN)=C(/C)N.
What is the InChIKey of (Z)-2-(methyliminomethyl)but-2-ene-1,3-diamine?
The InChIKey is HEKYOOTXENGKNG-CXBDEZGUSA-N. The full InChI is InChI=1S/C6H13N3/c1-5(8)6(3-7)4-9-2/h4H,3,7-8H2,1-2H3/b6-5-,9-4+.
What are the key properties of (Z)-2-(methyliminomethyl)but-2-ene-1,3-diamine?
(Z)-2-(methyliminomethyl)but-2-ene-1,3-diamine has a molecular weight of 127.19 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(methyliminomethyl)but-2-ene-1,3-diamine is sourced from PubChem (CID 143626271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).