but-3-en-2-imine;N-methylmethanamine

C6H14N2 — CID 143908305

IUPACbut-3-en-2-imine;N-methylmethanamine
SMILESCNC.[H]/N=C(\C)C=C
InChIInChI=1S/C4H7N.C2H7N/c1-3-4(2)5;1-3-2/h3,5H,1H2,2H3;3H,1-2H3/b5-4+;
InChIKeyKBSFBAZTOQJZTM-FXRZFVDSSA-N
MW114.19 g/mol
LogP1.05
Rot. Bonds1

About but-3-en-2-imine;N-methylmethanamine

but-3-en-2-imine;N-methylmethanamine (PubChem CID 143908305) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is but-3-en-2-imine;N-methylmethanamine.

Molecular Properties

Compound Namebut-3-en-2-imine;N-methylmethanamine
PubChem CID143908305
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Namebut-3-en-2-imine;N-methylmethanamine
SMILESCNC.[H]/N=C(\C)C=C
InChIInChI=1S/C4H7N.C2H7N/c1-3-4(2)5;1-3-2/h3,5H,1H2,2H3;3H,1-2H3/b5-4+;
InChIKeyKBSFBAZTOQJZTM-FXRZFVDSSA-N
XLogP1.05
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-iminopropyl)but-3-en-2-imine
CID 123357717
N-ethyl-2-iminobut-3-en-1-amine
CID 123563525
N-ethyl-2-methyliminobut-3-en-1-amine
CID 130440572
N-methyl-2-methyliminobut-3-en-1-amine
CID 130440574
(Z)-2-(but-3-en-2-ylideneamino)-N-methylethenamine
CID 134478563
But-3-en-2-imine;ethane;methanamine
CID 144048890
2-Propyliminobut-3-en-1-amine
CID 145443316
(E)-2-(but-3-en-2-ylideneamino)-N-methylethenamine
CID 147821469
But-3-en-2-ylidene(ethyl)azanium
CID 164078098
But-3-en-2-imine;methanamine
CID 171839066
(But-3-en-2-ylideneamino)methanamine
CID 173912635
2-Iminobut-3-en-1-amine
CID 174589213

Frequently Asked Questions

What is the IUPAC name of but-3-en-2-imine;N-methylmethanamine?
The IUPAC name of but-3-en-2-imine;N-methylmethanamine (CID 143908305) is but-3-en-2-imine;N-methylmethanamine.
What is the SMILES notation for but-3-en-2-imine;N-methylmethanamine?
The canonical SMILES for but-3-en-2-imine;N-methylmethanamine is CNC.[H]/N=C(\C)C=C.
What is the InChIKey of but-3-en-2-imine;N-methylmethanamine?
The InChIKey is KBSFBAZTOQJZTM-FXRZFVDSSA-N. The full InChI is InChI=1S/C4H7N.C2H7N/c1-3-4(2)5;1-3-2/h3,5H,1H2,2H3;3H,1-2H3/b5-4+;.
What are the key properties of but-3-en-2-imine;N-methylmethanamine?
but-3-en-2-imine;N-methylmethanamine has a molecular weight of 114.19 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-imine;N-methylmethanamine is sourced from PubChem (CID 143908305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).