2-N'-methylbut-3-ene-2,2-diamine

C5H12N2 — CID 123441192

IUPAC2-N'-methylbut-3-ene-2,2-diamine
SMILESC=CC(C)(N)NC
InChIInChI=1S/C5H12N2/c1-4-5(2,6)7-3/h4,7H,1,6H2,2-3H3
InChIKeyNNKRVOBUYODEJC-UHFFFAOYSA-N
MW100.16 g/mol
LogP0.07
Rot. Bonds2

About 2-N'-methylbut-3-ene-2,2-diamine

2-N'-methylbut-3-ene-2,2-diamine (PubChem CID 123441192) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is 2-N'-methylbut-3-ene-2,2-diamine.

Molecular Properties

Compound Name2-N'-methylbut-3-ene-2,2-diamine
PubChem CID123441192
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name2-N'-methylbut-3-ene-2,2-diamine
SMILESC=CC(C)(N)NC
InChIInChI=1S/C5H12N2/c1-4-5(2,6)7-3/h4,7H,1,6H2,2-3H3
InChIKeyNNKRVOBUYODEJC-UHFFFAOYSA-N
XLogP0.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N'-methylbut-3-ene-2,2-diamine?
The IUPAC name of 2-N'-methylbut-3-ene-2,2-diamine (CID 123441192) is 2-N'-methylbut-3-ene-2,2-diamine.
What is the SMILES notation for 2-N'-methylbut-3-ene-2,2-diamine?
The canonical SMILES for 2-N'-methylbut-3-ene-2,2-diamine is C=CC(C)(N)NC.
What is the InChIKey of 2-N'-methylbut-3-ene-2,2-diamine?
The InChIKey is NNKRVOBUYODEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-4-5(2,6)7-3/h4,7H,1,6H2,2-3H3.
What are the key properties of 2-N'-methylbut-3-ene-2,2-diamine?
2-N'-methylbut-3-ene-2,2-diamine has a molecular weight of 100.16 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-methylbut-3-ene-2,2-diamine is sourced from PubChem (CID 123441192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).