N-(cyclohex-3-en-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine

C15H27NO — CID 79927389

IUPACN-(cyclohex-3-en-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)CC(NCC2CC=CCC2)C(C)(C)O1
InChIInChI=1S/C15H27NO/c1-14(2)10-13(15(3,4)17-14)16-11-12-8-6-5-7-9-12/h5-6,12-13,16H,7-11H2,1-4H3
InChIKeyGXMROCUOXPLJFG-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.28
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine

N-(cyclohex-3-en-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 79927389) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID79927389
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)CC(NCC2CC=CCC2)C(C)(C)O1
InChIInChI=1S/C15H27NO/c1-14(2)10-13(15(3,4)17-14)16-11-12-8-6-5-7-9-12/h5-6,12-13,16H,7-11H2,1-4H3
InChIKeyGXMROCUOXPLJFG-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(cyclohex-3-en-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-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-(cyclohex-3-en-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine (CID 79927389) is N-(cyclohex-3-en-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine is CC1(C)CC(NCC2CC=CCC2)C(C)(C)O1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is GXMROCUOXPLJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-14(2)10-13(15(3,4)17-14)16-11-12-8-6-5-7-9-12/h5-6,12-13,16H,7-11H2,1-4H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine?
N-(cyclohex-3-en-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 237.39 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 79927389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).