3-cyclohex-3-en-1-yl-N,N-dimethylpropan-1-amine

C11H21N — CID 175966399

IUPAC3-cyclohex-3-en-1-yl-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1CC=CCC1
InChIInChI=1S/C11H21N/c1-12(2)10-6-9-11-7-4-3-5-8-11/h3-4,11H,5-10H2,1-2H3
InChIKeyDAUYIMFZHZJPJB-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.68
Rot. Bonds4

About 3-cyclohex-3-en-1-yl-N,N-dimethylpropan-1-amine

3-cyclohex-3-en-1-yl-N,N-dimethylpropan-1-amine (PubChem CID 175966399) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-cyclohex-3-en-1-yl-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-cyclohex-3-en-1-yl-N,N-dimethylpropan-1-amine
PubChem CID175966399
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-cyclohex-3-en-1-yl-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1CC=CCC1
InChIInChI=1S/C11H21N/c1-12(2)10-6-9-11-7-4-3-5-8-11/h3-4,11H,5-10H2,1-2H3
InChIKeyDAUYIMFZHZJPJB-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohex-3-en-1-yl-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-cyclohex-3-en-1-yl-N,N-dimethylpropan-1-amine (CID 175966399) is 3-cyclohex-3-en-1-yl-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-cyclohex-3-en-1-yl-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-cyclohex-3-en-1-yl-N,N-dimethylpropan-1-amine is CN(C)CCCC1CC=CCC1.
What is the InChIKey of 3-cyclohex-3-en-1-yl-N,N-dimethylpropan-1-amine?
The InChIKey is DAUYIMFZHZJPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-12(2)10-6-9-11-7-4-3-5-8-11/h3-4,11H,5-10H2,1-2H3.
What are the key properties of 3-cyclohex-3-en-1-yl-N,N-dimethylpropan-1-amine?
3-cyclohex-3-en-1-yl-N,N-dimethylpropan-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-3-en-1-yl-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 175966399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).