4-methyliminobut-2-en-2-amine

C5H10N2 — CID 76603952

IUPAC4-methyliminobut-2-en-2-amine
SMILESC/N=C/C=C(C)N
InChIInChI=1S/C5H10N2/c1-5(6)3-4-7-2/h3-4H,6H2,1-2H3/b5-3?,7-4+
InChIKeyRELCYMKWBICZBN-WWSNNFSYSA-N
MW98.15 g/mol
LogP0.55
Rot. Bonds1

About 4-methyliminobut-2-en-2-amine

4-methyliminobut-2-en-2-amine (PubChem CID 76603952) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 4-methyliminobut-2-en-2-amine.

Molecular Properties

Compound Name4-methyliminobut-2-en-2-amine
PubChem CID76603952
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name4-methyliminobut-2-en-2-amine
SMILESC/N=C/C=C(C)N
InChIInChI=1S/C5H10N2/c1-5(6)3-4-7-2/h3-4H,6H2,1-2H3/b5-3?,7-4+
InChIKeyRELCYMKWBICZBN-WWSNNFSYSA-N
XLogP0.55
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-methyliminobut-2-en-2-amine?
The IUPAC name of 4-methyliminobut-2-en-2-amine (CID 76603952) is 4-methyliminobut-2-en-2-amine.
What is the SMILES notation for 4-methyliminobut-2-en-2-amine?
The canonical SMILES for 4-methyliminobut-2-en-2-amine is C/N=C/C=C(C)N.
What is the InChIKey of 4-methyliminobut-2-en-2-amine?
The InChIKey is RELCYMKWBICZBN-WWSNNFSYSA-N. The full InChI is InChI=1S/C5H10N2/c1-5(6)3-4-7-2/h3-4H,6H2,1-2H3/b5-3?,7-4+.
What are the key properties of 4-methyliminobut-2-en-2-amine?
4-methyliminobut-2-en-2-amine has a molecular weight of 98.15 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyliminobut-2-en-2-amine is sourced from PubChem (CID 76603952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).