2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane

C15H25NO — CID 112747563

IUPAC2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane
SMILESC1CCCC(OC2C3CC4CNC2C4C3)CC1
InChIInChI=1S/C15H25NO/c1-2-4-6-12(5-3-1)17-15-10-7-11-9-16-14(15)13(11)8-10/h10-16H,1-9H2
InChIKeyNNUBZOKDTSBEJJ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.72
Rot. Bonds2

About 2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane

2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane (PubChem CID 112747563) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane.

Molecular Properties

Compound Name2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane
PubChem CID112747563
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane
SMILESC1CCCC(OC2C3CC4CNC2C4C3)CC1
InChIInChI=1S/C15H25NO/c1-2-4-6-12(5-3-1)17-15-10-7-11-9-16-14(15)13(11)8-10/h10-16H,1-9H2
InChIKeyNNUBZOKDTSBEJJ-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methylcyclohexyl)oxy-4-azatricyclo[4.2.1.03,7]nonane
CID 112747579
1-(3-cyclohexylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
CID 130349241
2-propan-2-yl-4-azatricyclo[4.2.1.03,7]nonane
CID 130642314
1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane
CID 140552812
cyclobutyloxycyclohexane
CID 89332762
4-azatricyclo[4.2.1.03,7]nonan-2-yl morpholine-4-carboxylate
CID 112747614
2-(4-azatricyclo[4.2.1.03,7]nonan-2-yloxy)pentanoic acid
CID 112747564
CID 173424592
CID 173424592
1-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
CID 144585232
5-(4-azatricyclo[4.2.1.03,7]nonan-2-yloxy)-3-propyl-1,2,4-thiadiazole
CID 112747594
4-[5-(2-cyclohexyloxycyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde
CID 88965748
4-(4-azatricyclo[4.2.1.03,7]nonan-2-yloxymethyl)-2-ethyl-1,3-thiazole
CID 112747574

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane?
The IUPAC name of 2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane (CID 112747563) is 2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane.
What is the SMILES notation for 2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane?
The canonical SMILES for 2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane is C1CCCC(OC2C3CC4CNC2C4C3)CC1.
What is the InChIKey of 2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane?
The InChIKey is NNUBZOKDTSBEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-4-6-12(5-3-1)17-15-10-7-11-9-16-14(15)13(11)8-10/h10-16H,1-9H2.
What are the key properties of 2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane?
2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane has a molecular weight of 235.37 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane is sourced from PubChem (CID 112747563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).