3-methyliminobut-1-en-2-amine

C5H10N2 — CID 142085830

IUPAC3-methyliminobut-1-en-2-amine
SMILESC=C(N)/C(C)=N/C
InChIInChI=1S/C5H10N2/c1-4(6)5(2)7-3/h1,6H2,2-3H3/b7-5+
InChIKeyMRUMTEJKCWHNED-FNORWQNLSA-N
MW98.15 g/mol
LogP0.55
Rot. Bonds1

About 3-methyliminobut-1-en-2-amine

3-methyliminobut-1-en-2-amine (PubChem CID 142085830) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 3-methyliminobut-1-en-2-amine.

Molecular Properties

Compound Name3-methyliminobut-1-en-2-amine
PubChem CID142085830
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name3-methyliminobut-1-en-2-amine
SMILESC=C(N)/C(C)=N/C
InChIInChI=1S/C5H10N2/c1-4(6)5(2)7-3/h1,6H2,2-3H3/b7-5+
InChIKeyMRUMTEJKCWHNED-FNORWQNLSA-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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Related Compounds

methanamine;N'-methylethanimidamide;2-methylprop-1-ene
CID 142054622
3-[3-(methylideneamino)buta-1,3-dien-2-ylimino]but-1-en-2-amine
CID 89214019
(5Z)-5,6-dimethyl-7-methyliminoocta-1,5-dien-2-amine
CID 142386809
(3E)-3-chloro-N,5-dimethylhexa-3,5-dien-2-imine
CID 156715493
2-N,3-N-dimethylbutane-2,3-diimine;hydrogen peroxide;nickel
CID 20647692
N'-methylethanimidamide;vanadium
CID 161014708
1-aminoethenyl N-methylethanimidothioate
CID 154517185
prop-1-en-2-amine;yttrium
CID 158882655
N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide
CID 130436154
1,2-dimethyl-1-prop-1-en-2-ylguanidine
CID 145170884
(Z)-3-ethyl-4-methyliminopent-2-en-2-amine
CID 143420792
(Z)-3-(C,N-dimethylcarbonimidoyl)pent-2-ene-2,4-diamine
CID 171626416

Frequently Asked Questions

What is the IUPAC name of 3-methyliminobut-1-en-2-amine?
The IUPAC name of 3-methyliminobut-1-en-2-amine (CID 142085830) is 3-methyliminobut-1-en-2-amine.
What is the SMILES notation for 3-methyliminobut-1-en-2-amine?
The canonical SMILES for 3-methyliminobut-1-en-2-amine is C=C(N)/C(C)=N/C.
What is the InChIKey of 3-methyliminobut-1-en-2-amine?
The InChIKey is MRUMTEJKCWHNED-FNORWQNLSA-N. The full InChI is InChI=1S/C5H10N2/c1-4(6)5(2)7-3/h1,6H2,2-3H3/b7-5+.
What are the key properties of 3-methyliminobut-1-en-2-amine?
3-methyliminobut-1-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 3-methyliminobut-1-en-2-amine is sourced from PubChem (CID 142085830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).