2-(methyliminomethyl)prop-1-ene-1,3-diamine

C5H11N3 — CID 142382612

IUPAC2-(methyliminomethyl)prop-1-ene-1,3-diamine
SMILESC/N=C/C(=CN)CN
InChIInChI=1S/C5H11N3/c1-8-4-5(2-6)3-7/h2,4H,3,6-7H2,1H3/b5-2?,8-4+
InChIKeyXYUNVQAZBSYPKZ-VIQNNAHXSA-N
MW113.16 g/mol
LogP-0.51
Rot. Bonds2

About 2-(methyliminomethyl)prop-1-ene-1,3-diamine

2-(methyliminomethyl)prop-1-ene-1,3-diamine (PubChem CID 142382612) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-(methyliminomethyl)prop-1-ene-1,3-diamine.

Molecular Properties

Compound Name2-(methyliminomethyl)prop-1-ene-1,3-diamine
PubChem CID142382612
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name2-(methyliminomethyl)prop-1-ene-1,3-diamine
SMILESC/N=C/C(=CN)CN
InChIInChI=1S/C5H11N3/c1-8-4-5(2-6)3-7/h2,4H,3,6-7H2,1H3/b5-2?,8-4+
InChIKeyXYUNVQAZBSYPKZ-VIQNNAHXSA-N
XLogP-0.51
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.51
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 2-(methyliminomethyl)prop-1-ene-1,3-diamine?
The IUPAC name of 2-(methyliminomethyl)prop-1-ene-1,3-diamine (CID 142382612) is 2-(methyliminomethyl)prop-1-ene-1,3-diamine.
What is the SMILES notation for 2-(methyliminomethyl)prop-1-ene-1,3-diamine?
The canonical SMILES for 2-(methyliminomethyl)prop-1-ene-1,3-diamine is C/N=C/C(=CN)CN.
What is the InChIKey of 2-(methyliminomethyl)prop-1-ene-1,3-diamine?
The InChIKey is XYUNVQAZBSYPKZ-VIQNNAHXSA-N. The full InChI is InChI=1S/C5H11N3/c1-8-4-5(2-6)3-7/h2,4H,3,6-7H2,1H3/b5-2?,8-4+.
What are the key properties of 2-(methyliminomethyl)prop-1-ene-1,3-diamine?
2-(methyliminomethyl)prop-1-ene-1,3-diamine has a molecular weight of 113.16 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methyliminomethyl)prop-1-ene-1,3-diamine is sourced from PubChem (CID 142382612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).