(E)-N-methyl-N-(methylideneamino)but-2-en-1-amine

C6H12N2 — CID 5364995

IUPAC(E)-N-methyl-N-(methylideneamino)but-2-en-1-amine
SMILESC=NN(C)C/C=C/C
InChIInChI=1S/C6H12N2/c1-4-5-6-8(3)7-2/h4-5H,2,6H2,1,3H3/b5-4+
InChIKeyYAEOYPTYOYLKPH-SNAWJCMRSA-N
MW112.18 g/mol
LogP1.11
Rot. Bonds3

About (E)-N-methyl-N-(methylideneamino)but-2-en-1-amine

(E)-N-methyl-N-(methylideneamino)but-2-en-1-amine (PubChem CID 5364995) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (E)-N-methyl-N-(methylideneamino)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-N-(methylideneamino)but-2-en-1-amine
PubChem CID5364995
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(E)-N-methyl-N-(methylideneamino)but-2-en-1-amine
SMILESC=NN(C)C/C=C/C
InChIInChI=1S/C6H12N2/c1-4-5-6-8(3)7-2/h4-5H,2,6H2,1,3H3/b5-4+
InChIKeyYAEOYPTYOYLKPH-SNAWJCMRSA-N
XLogP1.11
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-but-2-enyl-N-methylbut-2-en-1-amine
CID 91131221
(E)-N-methyl-N-prop-2-enylbut-2-en-1-amine
CID 54198139
(E)-N,2-dimethyl-N-(methylideneamino)but-2-en-1-amine
CID 142890314
N-[(E)-but-2-enyl]-N,N'-dimethylmethanimidamide
CID 90250316
N-[(E)-but-2-enyl]methanimine
CID 18710621
1,1-bis[(E)-but-2-enyl]hydrazine
CID 5367930
N-methyl-N-propylbut-2-en-1-amine
CID 123499797
N,N-bis(but-2-enyl)formamide
CID 76548321
(2E,4E)-N,N-dimethylhexa-2,4-dien-1-amine
CID 12628261
3-[methyl-(methylideneamino)amino]propanoic acid
CID 144525641
2-[[(E)-but-2-enyl]-methylamino]ethanol;ethane
CID 144566611
2,4,6-tris[bis(but-2-enyl)amino]phenol
CID 139887306

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N-(methylideneamino)but-2-en-1-amine?
The IUPAC name of (E)-N-methyl-N-(methylideneamino)but-2-en-1-amine (CID 5364995) is (E)-N-methyl-N-(methylideneamino)but-2-en-1-amine.
What is the SMILES notation for (E)-N-methyl-N-(methylideneamino)but-2-en-1-amine?
The canonical SMILES for (E)-N-methyl-N-(methylideneamino)but-2-en-1-amine is C=NN(C)C/C=C/C.
What is the InChIKey of (E)-N-methyl-N-(methylideneamino)but-2-en-1-amine?
The InChIKey is YAEOYPTYOYLKPH-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-5-6-8(3)7-2/h4-5H,2,6H2,1,3H3/b5-4+.
What are the key properties of (E)-N-methyl-N-(methylideneamino)but-2-en-1-amine?
(E)-N-methyl-N-(methylideneamino)but-2-en-1-amine has a molecular weight of 112.18 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N-(methylideneamino)but-2-en-1-amine is sourced from PubChem (CID 5364995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).