(Z)-N-(2-methyliminoethyl)prop-1-en-1-amine

C6H12N2 — CID 89036298

IUPAC(Z)-N-(2-methyliminoethyl)prop-1-en-1-amine
SMILESC/C=C\NC/C=N/C
InChIInChI=1S/C6H12N2/c1-3-4-8-6-5-7-2/h3-5,8H,6H2,1-2H3/b4-3-,7-5+
InChIKeyLMQRHYMBZGMSLX-QVXLNCAUSA-N
MW112.18 g/mol
LogP0.81
Rot. Bonds3

About (Z)-N-(2-methyliminoethyl)prop-1-en-1-amine

(Z)-N-(2-methyliminoethyl)prop-1-en-1-amine (PubChem CID 89036298) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (Z)-N-(2-methyliminoethyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-(2-methyliminoethyl)prop-1-en-1-amine
PubChem CID89036298
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(Z)-N-(2-methyliminoethyl)prop-1-en-1-amine
SMILESC/C=C\NC/C=N/C
InChIInChI=1S/C6H12N2/c1-3-4-8-6-5-7-2/h3-5,8H,6H2,1-2H3/b4-3-,7-5+
InChIKeyLMQRHYMBZGMSLX-QVXLNCAUSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-methyliminoethyl)prop-1-en-1-amine?
The IUPAC name of (Z)-N-(2-methyliminoethyl)prop-1-en-1-amine (CID 89036298) is (Z)-N-(2-methyliminoethyl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-N-(2-methyliminoethyl)prop-1-en-1-amine?
The canonical SMILES for (Z)-N-(2-methyliminoethyl)prop-1-en-1-amine is C/C=C\NC/C=N/C.
What is the InChIKey of (Z)-N-(2-methyliminoethyl)prop-1-en-1-amine?
The InChIKey is LMQRHYMBZGMSLX-QVXLNCAUSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-4-8-6-5-7-2/h3-5,8H,6H2,1-2H3/b4-3-,7-5+.
What are the key properties of (Z)-N-(2-methyliminoethyl)prop-1-en-1-amine?
(Z)-N-(2-methyliminoethyl)prop-1-en-1-amine has a molecular weight of 112.18 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-methyliminoethyl)prop-1-en-1-amine is sourced from PubChem (CID 89036298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).