(E)-N,N-diethyl-3-methylhex-2-en-1-amine

C11H23N — CID 90428828

IUPAC(E)-N,N-diethyl-3-methylhex-2-en-1-amine
SMILESCCC/C(C)=C/CN(CC)CC
InChIInChI=1S/C11H23N/c1-5-8-11(4)9-10-12(6-2)7-3/h9H,5-8,10H2,1-4H3/b11-9+
InChIKeyJERIZVJZGBINEO-PKNBQFBNSA-N
MW169.31 g/mol
LogP3.07
Rot. Bonds6

About (E)-N,N-diethyl-3-methylhex-2-en-1-amine

(E)-N,N-diethyl-3-methylhex-2-en-1-amine (PubChem CID 90428828) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (E)-N,N-diethyl-3-methylhex-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-diethyl-3-methylhex-2-en-1-amine
PubChem CID90428828
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(E)-N,N-diethyl-3-methylhex-2-en-1-amine
SMILESCCC/C(C)=C/CN(CC)CC
InChIInChI=1S/C11H23N/c1-5-8-11(4)9-10-12(6-2)7-3/h9H,5-8,10H2,1-4H3/b11-9+
InChIKeyJERIZVJZGBINEO-PKNBQFBNSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N,N-diethyl-3-methylhex-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-3-methylhex-2-en-1-amine?
The IUPAC name of (E)-N,N-diethyl-3-methylhex-2-en-1-amine (CID 90428828) is (E)-N,N-diethyl-3-methylhex-2-en-1-amine.
What is the SMILES notation for (E)-N,N-diethyl-3-methylhex-2-en-1-amine?
The canonical SMILES for (E)-N,N-diethyl-3-methylhex-2-en-1-amine is CCC/C(C)=C/CN(CC)CC.
What is the InChIKey of (E)-N,N-diethyl-3-methylhex-2-en-1-amine?
The InChIKey is JERIZVJZGBINEO-PKNBQFBNSA-N. The full InChI is InChI=1S/C11H23N/c1-5-8-11(4)9-10-12(6-2)7-3/h9H,5-8,10H2,1-4H3/b11-9+.
What are the key properties of (E)-N,N-diethyl-3-methylhex-2-en-1-amine?
(E)-N,N-diethyl-3-methylhex-2-en-1-amine has a molecular weight of 169.31 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-3-methylhex-2-en-1-amine is sourced from PubChem (CID 90428828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).