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

C6H12N2 — CID 118048875

IUPAC(Z)-N-methyl-1-(methylideneamino)but-1-en-2-amine
SMILESC=N/C=C(/CC)NC
InChIInChI=1S/C6H12N2/c1-4-6(8-3)5-7-2/h5,8H,2,4H2,1,3H3/b6-5-
InChIKeyWTOFMMOHZJAYJK-WAYWQWQTSA-N
MW112.18 g/mol
LogP1.16
Rot. Bonds3

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

(Z)-N-methyl-1-(methylideneamino)but-1-en-2-amine (PubChem CID 118048875) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (Z)-N-methyl-1-(methylideneamino)but-1-en-2-amine.

Molecular Properties

Compound Name(Z)-N-methyl-1-(methylideneamino)but-1-en-2-amine
PubChem CID118048875
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(Z)-N-methyl-1-(methylideneamino)but-1-en-2-amine
SMILESC=N/C=C(/CC)NC
InChIInChI=1S/C6H12N2/c1-4-6(8-3)5-7-2/h5,8H,2,4H2,1,3H3/b6-5-
InChIKeyWTOFMMOHZJAYJK-WAYWQWQTSA-N
XLogP1.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.16
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 (Z)-N-methyl-1-(methylideneamino)but-1-en-2-amine?
The IUPAC name of (Z)-N-methyl-1-(methylideneamino)but-1-en-2-amine (CID 118048875) is (Z)-N-methyl-1-(methylideneamino)but-1-en-2-amine.
What is the SMILES notation for (Z)-N-methyl-1-(methylideneamino)but-1-en-2-amine?
The canonical SMILES for (Z)-N-methyl-1-(methylideneamino)but-1-en-2-amine is C=N/C=C(/CC)NC.
What is the InChIKey of (Z)-N-methyl-1-(methylideneamino)but-1-en-2-amine?
The InChIKey is WTOFMMOHZJAYJK-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-6(8-3)5-7-2/h5,8H,2,4H2,1,3H3/b6-5-.
What are the key properties of (Z)-N-methyl-1-(methylideneamino)but-1-en-2-amine?
(Z)-N-methyl-1-(methylideneamino)but-1-en-2-amine has a molecular weight of 112.18 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-1-(methylideneamino)but-1-en-2-amine is sourced from PubChem (CID 118048875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).