(Z)-3-(1-methoxyethenylimino)-2-methylprop-1-en-1-amine

C7H12N2O — CID 154044655

IUPAC(Z)-3-(1-methoxyethenylimino)-2-methylprop-1-en-1-amine
SMILESC=C(N=C/C(C)=C\N)OC
InChIInChI=1S/C7H12N2O/c1-6(4-8)5-9-7(2)10-3/h4-5H,2,8H2,1,3H3/b6-4-,9-5?
InChIKeyXOUSENAKERSLBW-LSWUTZEOSA-N
MW140.19 g/mol
LogP1.04
Rot. Bonds3

About (Z)-3-(1-methoxyethenylimino)-2-methylprop-1-en-1-amine

(Z)-3-(1-methoxyethenylimino)-2-methylprop-1-en-1-amine (PubChem CID 154044655) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (Z)-3-(1-methoxyethenylimino)-2-methylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(1-methoxyethenylimino)-2-methylprop-1-en-1-amine
PubChem CID154044655
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(Z)-3-(1-methoxyethenylimino)-2-methylprop-1-en-1-amine
SMILESC=C(N=C/C(C)=C\N)OC
InChIInChI=1S/C7H12N2O/c1-6(4-8)5-9-7(2)10-3/h4-5H,2,8H2,1,3H3/b6-4-,9-5?
InChIKeyXOUSENAKERSLBW-LSWUTZEOSA-N
XLogP1.04
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1-methoxyethenylimino)-2-methylprop-1-en-1-amine?
The IUPAC name of (Z)-3-(1-methoxyethenylimino)-2-methylprop-1-en-1-amine (CID 154044655) is (Z)-3-(1-methoxyethenylimino)-2-methylprop-1-en-1-amine.
What is the SMILES notation for (Z)-3-(1-methoxyethenylimino)-2-methylprop-1-en-1-amine?
The canonical SMILES for (Z)-3-(1-methoxyethenylimino)-2-methylprop-1-en-1-amine is C=C(N=C/C(C)=C\N)OC.
What is the InChIKey of (Z)-3-(1-methoxyethenylimino)-2-methylprop-1-en-1-amine?
The InChIKey is XOUSENAKERSLBW-LSWUTZEOSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6(4-8)5-9-7(2)10-3/h4-5H,2,8H2,1,3H3/b6-4-,9-5?.
What are the key properties of (Z)-3-(1-methoxyethenylimino)-2-methylprop-1-en-1-amine?
(Z)-3-(1-methoxyethenylimino)-2-methylprop-1-en-1-amine has a molecular weight of 140.19 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1-methoxyethenylimino)-2-methylprop-1-en-1-amine is sourced from PubChem (CID 154044655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).