(Z)-3-(ethylideneamino)-N-methylprop-2-en-1-amine

C6H12N2 — CID 88586125

IUPAC(Z)-3-(ethylideneamino)-N-methylprop-2-en-1-amine
SMILESC/C=N/C=C\CNC
InChIInChI=1S/C6H12N2/c1-3-8-6-4-5-7-2/h3-4,6-7H,5H2,1-2H3/b6-4-,8-3+
InChIKeyCHBBRTVDOJUXJJ-MROOEUIUSA-N
MW112.18 g/mol
LogP0.81
Rot. Bonds3

About (Z)-3-(ethylideneamino)-N-methylprop-2-en-1-amine

(Z)-3-(ethylideneamino)-N-methylprop-2-en-1-amine (PubChem CID 88586125) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (Z)-3-(ethylideneamino)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(ethylideneamino)-N-methylprop-2-en-1-amine
PubChem CID88586125
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(Z)-3-(ethylideneamino)-N-methylprop-2-en-1-amine
SMILESC/C=N/C=C\CNC
InChIInChI=1S/C6H12N2/c1-3-8-6-4-5-7-2/h3-4,6-7H,5H2,1-2H3/b6-4-,8-3+
InChIKeyCHBBRTVDOJUXJJ-MROOEUIUSA-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': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(ethylideneamino)-N-methylprop-2-en-1-amine?
The IUPAC name of (Z)-3-(ethylideneamino)-N-methylprop-2-en-1-amine (CID 88586125) is (Z)-3-(ethylideneamino)-N-methylprop-2-en-1-amine.
What is the SMILES notation for (Z)-3-(ethylideneamino)-N-methylprop-2-en-1-amine?
The canonical SMILES for (Z)-3-(ethylideneamino)-N-methylprop-2-en-1-amine is C/C=N/C=C\CNC.
What is the InChIKey of (Z)-3-(ethylideneamino)-N-methylprop-2-en-1-amine?
The InChIKey is CHBBRTVDOJUXJJ-MROOEUIUSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-8-6-4-5-7-2/h3-4,6-7H,5H2,1-2H3/b6-4-,8-3+.
What are the key properties of (Z)-3-(ethylideneamino)-N-methylprop-2-en-1-amine?
(Z)-3-(ethylideneamino)-N-methylprop-2-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)-3-(ethylideneamino)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 88586125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).