(E)-4-methyl-2-methyliminohex-3-en-1-amine

C8H16N2 — CID 129210151

IUPAC(E)-4-methyl-2-methyliminohex-3-en-1-amine
SMILESCC/C(C)=C/C(CN)=N/C
InChIInChI=1S/C8H16N2/c1-4-7(2)5-8(6-9)10-3/h5H,4,6,9H2,1-3H3/b7-5+,10-8-
InChIKeyGHERZVNDUMCCLJ-MBRJEVFCSA-N
MW140.23 g/mol
LogP1.37
Rot. Bonds3

About (E)-4-methyl-2-methyliminohex-3-en-1-amine

(E)-4-methyl-2-methyliminohex-3-en-1-amine (PubChem CID 129210151) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (E)-4-methyl-2-methyliminohex-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-methyl-2-methyliminohex-3-en-1-amine
PubChem CID129210151
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(E)-4-methyl-2-methyliminohex-3-en-1-amine
SMILESCC/C(C)=C/C(CN)=N/C
InChIInChI=1S/C8H16N2/c1-4-7(2)5-8(6-9)10-3/h5H,4,6,9H2,1-3H3/b7-5+,10-8-
InChIKeyGHERZVNDUMCCLJ-MBRJEVFCSA-N
XLogP1.37
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.37
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 (E)-4-methyl-2-methyliminohex-3-en-1-amine?
The IUPAC name of (E)-4-methyl-2-methyliminohex-3-en-1-amine (CID 129210151) is (E)-4-methyl-2-methyliminohex-3-en-1-amine.
What is the SMILES notation for (E)-4-methyl-2-methyliminohex-3-en-1-amine?
The canonical SMILES for (E)-4-methyl-2-methyliminohex-3-en-1-amine is CC/C(C)=C/C(CN)=N/C.
What is the InChIKey of (E)-4-methyl-2-methyliminohex-3-en-1-amine?
The InChIKey is GHERZVNDUMCCLJ-MBRJEVFCSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-7(2)5-8(6-9)10-3/h5H,4,6,9H2,1-3H3/b7-5+,10-8-.
What are the key properties of (E)-4-methyl-2-methyliminohex-3-en-1-amine?
(E)-4-methyl-2-methyliminohex-3-en-1-amine has a molecular weight of 140.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-2-methyliminohex-3-en-1-amine is sourced from PubChem (CID 129210151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).