[2,2,5,5-tetramethyl-3-(4-propan-2-ylazepan-1-yl)oxolan-3-yl]methanamine

C18H36N2O — CID 79911315

IUPAC[2,2,5,5-tetramethyl-3-(4-propan-2-ylazepan-1-yl)oxolan-3-yl]methanamine
SMILESCC(C)C1CCCN(C2(CN)CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C18H36N2O/c1-14(2)15-8-7-10-20(11-9-15)18(13-19)12-16(3,4)21-17(18,5)6/h14-15H,7-13,19H2,1-6H3
InChIKeyCBODVCHHPIZXHT-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.42
Rot. Bonds3

About [2,2,5,5-tetramethyl-3-(4-propan-2-ylazepan-1-yl)oxolan-3-yl]methanamine

[2,2,5,5-tetramethyl-3-(4-propan-2-ylazepan-1-yl)oxolan-3-yl]methanamine (PubChem CID 79911315) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is [2,2,5,5-tetramethyl-3-(4-propan-2-ylazepan-1-yl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[2,2,5,5-tetramethyl-3-(4-propan-2-ylazepan-1-yl)oxolan-3-yl]methanamine
PubChem CID79911315
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name[2,2,5,5-tetramethyl-3-(4-propan-2-ylazepan-1-yl)oxolan-3-yl]methanamine
SMILESCC(C)C1CCCN(C2(CN)CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C18H36N2O/c1-14(2)15-8-7-10-20(11-9-15)18(13-19)12-16(3,4)21-17(18,5)6/h14-15H,7-13,19H2,1-6H3
InChIKeyCBODVCHHPIZXHT-UHFFFAOYSA-N
XLogP3.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2,2,5,5-tetramethyl-3-(4-propan-2-ylazepan-1-yl)oxolan-3-yl]methanamine 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 [2,2,5,5-tetramethyl-3-(4-propan-2-ylazepan-1-yl)oxolan-3-yl]methanamine?
The IUPAC name of [2,2,5,5-tetramethyl-3-(4-propan-2-ylazepan-1-yl)oxolan-3-yl]methanamine (CID 79911315) is [2,2,5,5-tetramethyl-3-(4-propan-2-ylazepan-1-yl)oxolan-3-yl]methanamine.
What is the SMILES notation for [2,2,5,5-tetramethyl-3-(4-propan-2-ylazepan-1-yl)oxolan-3-yl]methanamine?
The canonical SMILES for [2,2,5,5-tetramethyl-3-(4-propan-2-ylazepan-1-yl)oxolan-3-yl]methanamine is CC(C)C1CCCN(C2(CN)CC(C)(C)OC2(C)C)CC1.
What is the InChIKey of [2,2,5,5-tetramethyl-3-(4-propan-2-ylazepan-1-yl)oxolan-3-yl]methanamine?
The InChIKey is CBODVCHHPIZXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-14(2)15-8-7-10-20(11-9-15)18(13-19)12-16(3,4)21-17(18,5)6/h14-15H,7-13,19H2,1-6H3.
What are the key properties of [2,2,5,5-tetramethyl-3-(4-propan-2-ylazepan-1-yl)oxolan-3-yl]methanamine?
[2,2,5,5-tetramethyl-3-(4-propan-2-ylazepan-1-yl)oxolan-3-yl]methanamine has a molecular weight of 296.50 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,5,5-tetramethyl-3-(4-propan-2-ylazepan-1-yl)oxolan-3-yl]methanamine is sourced from PubChem (CID 79911315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).