N-ethyl-2,3-dimethylhept-6-en-1-amine

C11H23N — CID 81015150

IUPACN-ethyl-2,3-dimethylhept-6-en-1-amine
SMILESC=CCCC(C)C(C)CNCC
InChIInChI=1S/C11H23N/c1-5-7-8-10(3)11(4)9-12-6-2/h5,10-12H,1,6-9H2,2-4H3
InChIKeyKOSGILNSAOFZLU-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.83
Rot. Bonds7

About N-ethyl-2,3-dimethylhept-6-en-1-amine

N-ethyl-2,3-dimethylhept-6-en-1-amine (PubChem CID 81015150) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-ethyl-2,3-dimethylhept-6-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2,3-dimethylhept-6-en-1-amine
PubChem CID81015150
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-ethyl-2,3-dimethylhept-6-en-1-amine
SMILESC=CCCC(C)C(C)CNCC
InChIInChI=1S/C11H23N/c1-5-7-8-10(3)11(4)9-12-6-2/h5,10-12H,1,6-9H2,2-4H3
InChIKeyKOSGILNSAOFZLU-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-2,3-dimethylhept-6-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 N-ethyl-2,3-dimethylhept-6-en-1-amine?
The IUPAC name of N-ethyl-2,3-dimethylhept-6-en-1-amine (CID 81015150) is N-ethyl-2,3-dimethylhept-6-en-1-amine.
What is the SMILES notation for N-ethyl-2,3-dimethylhept-6-en-1-amine?
The canonical SMILES for N-ethyl-2,3-dimethylhept-6-en-1-amine is C=CCCC(C)C(C)CNCC.
What is the InChIKey of N-ethyl-2,3-dimethylhept-6-en-1-amine?
The InChIKey is KOSGILNSAOFZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-5-7-8-10(3)11(4)9-12-6-2/h5,10-12H,1,6-9H2,2-4H3.
What are the key properties of N-ethyl-2,3-dimethylhept-6-en-1-amine?
N-ethyl-2,3-dimethylhept-6-en-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dimethylhept-6-en-1-amine is sourced from PubChem (CID 81015150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).