3-[[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]methyl]cyclohexan-1-ol

C18H34N2O — CID 106123834

IUPAC3-[[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)N1CC2CCCC(C1)C2NCC1CCCC(O)C1
InChIInChI=1S/C18H34N2O/c1-13(2)20-11-15-6-4-7-16(12-20)18(15)19-10-14-5-3-8-17(21)9-14/h13-19,21H,3-12H2,1-2H3
InChIKeyGUVXXPWRAZLCEG-UHFFFAOYSA-N
MW294.48 g/mol
LogP2.64
Rot. Bonds4

About 3-[[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]methyl]cyclohexan-1-ol

3-[[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 106123834) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 3-[[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]methyl]cyclohexan-1-ol
PubChem CID106123834
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name3-[[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)N1CC2CCCC(C1)C2NCC1CCCC(O)C1
InChIInChI=1S/C18H34N2O/c1-13(2)20-11-15-6-4-7-16(12-20)18(15)19-10-14-5-3-8-17(21)9-14/h13-19,21H,3-12H2,1-2H3
InChIKeyGUVXXPWRAZLCEG-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]methyl]cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

3-[(3-Propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]cyclohexan-1-ol
CID 61239654
4-[(3-Propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]cyclohexan-1-ol
CID 61242148
4-Methyl-2-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pentan-1-ol
CID 61247592
2-[(3-Propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]cyclohexan-1-ol
CID 62359231
2-[[(3-Propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]methyl]cyclohexan-1-ol
CID 64928229
1-[[(3-Propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]methyl]cyclohexan-1-ol
CID 65107688
2-[[(3-Propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]methyl]cyclopentan-1-ol
CID 65834282
[2-[[(3-Propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]methyl]cyclopentyl]methanol
CID 65925969
3-[[(3-Propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]methyl]cyclobutan-1-ol
CID 65970364
3-Methyl-4-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]butan-1-ol
CID 66092680
(2S)-3-methyl-2-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]butan-1-ol
CID 79253576
3-Methyl-2-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]butan-1-ol
CID 79254435

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]methyl]cyclohexan-1-ol (CID 106123834) is 3-[[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]methyl]cyclohexan-1-ol is CC(C)N1CC2CCCC(C1)C2NCC1CCCC(O)C1.
What is the InChIKey of 3-[[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is GUVXXPWRAZLCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-13(2)20-11-15-6-4-7-16(12-20)18(15)19-10-14-5-3-8-17(21)9-14/h13-19,21H,3-12H2,1-2H3.
What are the key properties of 3-[[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]methyl]cyclohexan-1-ol?
3-[[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 294.48 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106123834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).