N,N,4,7-tetramethylcyclohept-3-en-1-amine

C11H21N — CID 123286372

IUPACN,N,4,7-tetramethylcyclohept-3-en-1-amine
SMILESCC1=CCC(N(C)C)C(C)CC1
InChIInChI=1S/C11H21N/c1-9-5-7-10(2)11(8-6-9)12(3)4/h6,10-11H,5,7-8H2,1-4H3
InChIKeySTXPZTLCOASDPY-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.68
Rot. Bonds1

About N,N,4,7-tetramethylcyclohept-3-en-1-amine

N,N,4,7-tetramethylcyclohept-3-en-1-amine (PubChem CID 123286372) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N,N,4,7-tetramethylcyclohept-3-en-1-amine.

Molecular Properties

Compound NameN,N,4,7-tetramethylcyclohept-3-en-1-amine
PubChem CID123286372
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN,N,4,7-tetramethylcyclohept-3-en-1-amine
SMILESCC1=CCC(N(C)C)C(C)CC1
InChIInChI=1S/C11H21N/c1-9-5-7-10(2)11(8-6-9)12(3)4/h6,10-11H,5,7-8H2,1-4H3
InChIKeySTXPZTLCOASDPY-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N,4,7-tetramethylcyclohept-3-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,N,4,7-tetramethylcyclohept-3-en-1-amine?
The IUPAC name of N,N,4,7-tetramethylcyclohept-3-en-1-amine (CID 123286372) is N,N,4,7-tetramethylcyclohept-3-en-1-amine.
What is the SMILES notation for N,N,4,7-tetramethylcyclohept-3-en-1-amine?
The canonical SMILES for N,N,4,7-tetramethylcyclohept-3-en-1-amine is CC1=CCC(N(C)C)C(C)CC1.
What is the InChIKey of N,N,4,7-tetramethylcyclohept-3-en-1-amine?
The InChIKey is STXPZTLCOASDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9-5-7-10(2)11(8-6-9)12(3)4/h6,10-11H,5,7-8H2,1-4H3.
What are the key properties of N,N,4,7-tetramethylcyclohept-3-en-1-amine?
N,N,4,7-tetramethylcyclohept-3-en-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4,7-tetramethylcyclohept-3-en-1-amine is sourced from PubChem (CID 123286372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).