5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pentan-1-ol

C16H32N2O — CID 107316719

IUPAC5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pentan-1-ol
SMILESCC(C)N1CC2CCCC(C1)C2NCCCCCO
InChIInChI=1S/C16H32N2O/c1-13(2)18-11-14-7-6-8-15(12-18)16(14)17-9-4-3-5-10-19/h13-17,19H,3-12H2,1-2H3
InChIKeyPPMYLTSQFGHSFM-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.25
Rot. Bonds7

About 5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pentan-1-ol

5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pentan-1-ol (PubChem CID 107316719) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pentan-1-ol
PubChem CID107316719
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pentan-1-ol
SMILESCC(C)N1CC2CCCC(C1)C2NCCCCCO
InChIInChI=1S/C16H32N2O/c1-13(2)18-11-14-7-6-8-15(12-18)16(14)17-9-4-3-5-10-19/h13-17,19H,3-12H2,1-2H3
InChIKeyPPMYLTSQFGHSFM-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.3.1]nonan-9-amine
CID 61240803
N,N-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide
CID 61240808
N-[(2-methylcyclopentyl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 107417173
3-[[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]methyl]cyclohexan-1-ol
CID 106123834
4-[(1-propan-2-ylpiperidin-4-yl)amino]butan-1-ol
CID 106840759
N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 106024089
N-[(3-methylcyclopentyl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 107411846
2-methyl-1-methylsulfanyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propan-2-ol
CID 106245965
N-ethyl-2-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]ethanesulfonamide
CID 106334433
(1R,5R)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 98053872
2-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanoic acid
CID 54960108
2,2-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide
CID 106275148

Frequently Asked Questions

What is the IUPAC name of 5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pentan-1-ol?
The IUPAC name of 5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pentan-1-ol (CID 107316719) is 5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pentan-1-ol?
The canonical SMILES for 5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pentan-1-ol is CC(C)N1CC2CCCC(C1)C2NCCCCCO.
What is the InChIKey of 5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pentan-1-ol?
The InChIKey is PPMYLTSQFGHSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)18-11-14-7-6-8-15(12-18)16(14)17-9-4-3-5-10-19/h13-17,19H,3-12H2,1-2H3.
What are the key properties of 5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pentan-1-ol?
5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pentan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pentan-1-ol is sourced from PubChem (CID 107316719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).