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

C11H23N — CID 54102089

IUPACN-ethyl-N,6-dimethylhept-1-en-1-amine
SMILESCCN(C)C=CCCCC(C)C
InChIInChI=1S/C11H23N/c1-5-12(4)10-8-6-7-9-11(2)3/h8,10-11H,5-7,9H2,1-4H3
InChIKeyNBEUOQORBCHFCG-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.28
Rot. Bonds6

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

N-ethyl-N,6-dimethylhept-1-en-1-amine (PubChem CID 54102089) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-ethyl-N,6-dimethylhept-1-en-1-amine.

Molecular Properties

Compound NameN-ethyl-N,6-dimethylhept-1-en-1-amine
PubChem CID54102089
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-ethyl-N,6-dimethylhept-1-en-1-amine
SMILESCCN(C)C=CCCCC(C)C
InChIInChI=1S/C11H23N/c1-5-12(4)10-8-6-7-9-11(2)3/h8,10-11H,5-7,9H2,1-4H3
InChIKeyNBEUOQORBCHFCG-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-N,6-dimethylhept-1-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-N,6-dimethylhept-1-en-1-amine?
The IUPAC name of N-ethyl-N,6-dimethylhept-1-en-1-amine (CID 54102089) is N-ethyl-N,6-dimethylhept-1-en-1-amine.
What is the SMILES notation for N-ethyl-N,6-dimethylhept-1-en-1-amine?
The canonical SMILES for N-ethyl-N,6-dimethylhept-1-en-1-amine is CCN(C)C=CCCCC(C)C.
What is the InChIKey of N-ethyl-N,6-dimethylhept-1-en-1-amine?
The InChIKey is NBEUOQORBCHFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-5-12(4)10-8-6-7-9-11(2)3/h8,10-11H,5-7,9H2,1-4H3.
What are the key properties of N-ethyl-N,6-dimethylhept-1-en-1-amine?
N-ethyl-N,6-dimethylhept-1-en-1-amine has a molecular weight of 169.31 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,6-dimethylhept-1-en-1-amine is sourced from PubChem (CID 54102089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).