(E)-N-ethyl-5,5-dimethyl-4-methyliminohex-2-en-2-amine

C11H22N2 — CID 139378380

IUPAC(E)-N-ethyl-5,5-dimethyl-4-methyliminohex-2-en-2-amine
SMILESCCN/C(C)=C/C(=N\C)C(C)(C)C
InChIInChI=1S/C11H22N2/c1-7-13-9(2)8-10(12-6)11(3,4)5/h8,13H,7H2,1-6H3/b9-8+,12-10+
InChIKeyQJWYJLAYFCKMHN-CDKJVOIVSA-N
MW182.31 g/mol
LogP2.62
Rot. Bonds3

About (E)-N-ethyl-5,5-dimethyl-4-methyliminohex-2-en-2-amine

(E)-N-ethyl-5,5-dimethyl-4-methyliminohex-2-en-2-amine (PubChem CID 139378380) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (E)-N-ethyl-5,5-dimethyl-4-methyliminohex-2-en-2-amine.

Molecular Properties

Compound Name(E)-N-ethyl-5,5-dimethyl-4-methyliminohex-2-en-2-amine
PubChem CID139378380
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(E)-N-ethyl-5,5-dimethyl-4-methyliminohex-2-en-2-amine
SMILESCCN/C(C)=C/C(=N\C)C(C)(C)C
InChIInChI=1S/C11H22N2/c1-7-13-9(2)8-10(12-6)11(3,4)5/h8,13H,7H2,1-6H3/b9-8+,12-10+
InChIKeyQJWYJLAYFCKMHN-CDKJVOIVSA-N
XLogP2.62
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.62
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)-N-ethyl-5,5-dimethyl-4-methyliminohex-2-en-2-amine?
The IUPAC name of (E)-N-ethyl-5,5-dimethyl-4-methyliminohex-2-en-2-amine (CID 139378380) is (E)-N-ethyl-5,5-dimethyl-4-methyliminohex-2-en-2-amine.
What is the SMILES notation for (E)-N-ethyl-5,5-dimethyl-4-methyliminohex-2-en-2-amine?
The canonical SMILES for (E)-N-ethyl-5,5-dimethyl-4-methyliminohex-2-en-2-amine is CCN/C(C)=C/C(=N\C)C(C)(C)C.
What is the InChIKey of (E)-N-ethyl-5,5-dimethyl-4-methyliminohex-2-en-2-amine?
The InChIKey is QJWYJLAYFCKMHN-CDKJVOIVSA-N. The full InChI is InChI=1S/C11H22N2/c1-7-13-9(2)8-10(12-6)11(3,4)5/h8,13H,7H2,1-6H3/b9-8+,12-10+.
What are the key properties of (E)-N-ethyl-5,5-dimethyl-4-methyliminohex-2-en-2-amine?
(E)-N-ethyl-5,5-dimethyl-4-methyliminohex-2-en-2-amine has a molecular weight of 182.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-5,5-dimethyl-4-methyliminohex-2-en-2-amine is sourced from PubChem (CID 139378380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).