(Z)-2-(methyliminomethyl)but-1-ene-1,4-diamine

C6H13N3 — CID 155065735

IUPAC(Z)-2-(methyliminomethyl)but-1-ene-1,4-diamine
SMILESC/N=C/C(=C\N)CCN
InChIInChI=1S/C6H13N3/c1-9-5-6(4-8)2-3-7/h4-5H,2-3,7-8H2,1H3/b6-4-,9-5+
InChIKeyRUASRGGNDWSDNX-QUNSIMLLSA-N
MW127.19 g/mol
LogP-0.12
Rot. Bonds3

About (Z)-2-(methyliminomethyl)but-1-ene-1,4-diamine

(Z)-2-(methyliminomethyl)but-1-ene-1,4-diamine (PubChem CID 155065735) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is (Z)-2-(methyliminomethyl)but-1-ene-1,4-diamine.

Molecular Properties

Compound Name(Z)-2-(methyliminomethyl)but-1-ene-1,4-diamine
PubChem CID155065735
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name(Z)-2-(methyliminomethyl)but-1-ene-1,4-diamine
SMILESC/N=C/C(=C\N)CCN
InChIInChI=1S/C6H13N3/c1-9-5-6(4-8)2-3-7/h4-5H,2-3,7-8H2,1H3/b6-4-,9-5+
InChIKeyRUASRGGNDWSDNX-QUNSIMLLSA-N
XLogP-0.12
TPSA64.40 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 ≤ 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-1-ene-1,4-diamine?
The IUPAC name of (Z)-2-(methyliminomethyl)but-1-ene-1,4-diamine (CID 155065735) is (Z)-2-(methyliminomethyl)but-1-ene-1,4-diamine.
What is the SMILES notation for (Z)-2-(methyliminomethyl)but-1-ene-1,4-diamine?
The canonical SMILES for (Z)-2-(methyliminomethyl)but-1-ene-1,4-diamine is C/N=C/C(=C\N)CCN.
What is the InChIKey of (Z)-2-(methyliminomethyl)but-1-ene-1,4-diamine?
The InChIKey is RUASRGGNDWSDNX-QUNSIMLLSA-N. The full InChI is InChI=1S/C6H13N3/c1-9-5-6(4-8)2-3-7/h4-5H,2-3,7-8H2,1H3/b6-4-,9-5+.
What are the key properties of (Z)-2-(methyliminomethyl)but-1-ene-1,4-diamine?
(Z)-2-(methyliminomethyl)but-1-ene-1,4-diamine has a molecular weight of 127.19 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(methyliminomethyl)but-1-ene-1,4-diamine is sourced from PubChem (CID 155065735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).