(Z)-2-methanimidoyl-N,N-dimethylbut-1-en-1-amine

C7H14N2 — CID 89291570

IUPAC(Z)-2-methanimidoyl-N,N-dimethylbut-1-en-1-amine
SMILES[H]/N=C/C(=C\N(C)C)CC
InChIInChI=1S/C7H14N2/c1-4-7(5-8)6-9(2)3/h5-6,8H,4H2,1-3H3/b7-6-,8-5+
InChIKeyFVLFLXLUUBRWKA-WNXMRAAYSA-N
MW126.20 g/mol
LogP1.49
Rot. Bonds3

About (Z)-2-methanimidoyl-N,N-dimethylbut-1-en-1-amine

(Z)-2-methanimidoyl-N,N-dimethylbut-1-en-1-amine (PubChem CID 89291570) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (Z)-2-methanimidoyl-N,N-dimethylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-methanimidoyl-N,N-dimethylbut-1-en-1-amine
PubChem CID89291570
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(Z)-2-methanimidoyl-N,N-dimethylbut-1-en-1-amine
SMILES[H]/N=C/C(=C\N(C)C)CC
InChIInChI=1S/C7H14N2/c1-4-7(5-8)6-9(2)3/h5-6,8H,4H2,1-3H3/b7-6-,8-5+
InChIKeyFVLFLXLUUBRWKA-WNXMRAAYSA-N
XLogP1.49
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.49
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)-2-methanimidoyl-N,N-dimethylbut-1-en-1-amine?
The IUPAC name of (Z)-2-methanimidoyl-N,N-dimethylbut-1-en-1-amine (CID 89291570) is (Z)-2-methanimidoyl-N,N-dimethylbut-1-en-1-amine.
What is the SMILES notation for (Z)-2-methanimidoyl-N,N-dimethylbut-1-en-1-amine?
The canonical SMILES for (Z)-2-methanimidoyl-N,N-dimethylbut-1-en-1-amine is [H]/N=C/C(=C\N(C)C)CC.
What is the InChIKey of (Z)-2-methanimidoyl-N,N-dimethylbut-1-en-1-amine?
The InChIKey is FVLFLXLUUBRWKA-WNXMRAAYSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-7(5-8)6-9(2)3/h5-6,8H,4H2,1-3H3/b7-6-,8-5+.
What are the key properties of (Z)-2-methanimidoyl-N,N-dimethylbut-1-en-1-amine?
(Z)-2-methanimidoyl-N,N-dimethylbut-1-en-1-amine has a molecular weight of 126.20 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methanimidoyl-N,N-dimethylbut-1-en-1-amine is sourced from PubChem (CID 89291570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).