9-[(3-methoxyoxolan-3-yl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

C17H32N2O2 — CID 104766000

IUPAC9-[(3-methoxyoxolan-3-yl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2CC1(OC)CCOC1
InChIInChI=1S/C17H32N2O2/c1-3-8-18-14-10-15-5-4-6-16(11-14)19(15)12-17(20-2)7-9-21-13-17/h14-16,18H,3-13H2,1-2H3
InChIKeyDSAPFXNFMWRABQ-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.18
Rot. Bonds6

About 9-[(3-methoxyoxolan-3-yl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

9-[(3-methoxyoxolan-3-yl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 104766000) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 9-[(3-methoxyoxolan-3-yl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-[(3-methoxyoxolan-3-yl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID104766000
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name9-[(3-methoxyoxolan-3-yl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2CC1(OC)CCOC1
InChIInChI=1S/C17H32N2O2/c1-3-8-18-14-10-15-5-4-6-16(11-14)19(15)12-17(20-2)7-9-21-13-17/h14-16,18H,3-13H2,1-2H3
InChIKeyDSAPFXNFMWRABQ-UHFFFAOYSA-N
XLogP2.18
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(1-methylcyclopentyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 63831060
N-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-4-amine
CID 104761942
8-[[1-(dimethylamino)cyclopentyl]methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 83114315
9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711986
3-cyclopropyl-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexan-1-amine
CID 104705790
9-[2-(oxolan-2-yl)ethyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713145
8-(oxolan-2-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106138
8-(oxolan-3-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62824400
9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 113466133
9-(2-methylsulfanylpropyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 113466928
N-[(3-methoxyoxolan-3-yl)methyl]piperidin-3-amine
CID 104759714
N-[(3-methoxyoxolan-3-yl)methyl]-3-methylsulfonylcyclohexan-1-amine
CID 104760803

Frequently Asked Questions

What is the IUPAC name of 9-[(3-methoxyoxolan-3-yl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-[(3-methoxyoxolan-3-yl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 104766000) is 9-[(3-methoxyoxolan-3-yl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-[(3-methoxyoxolan-3-yl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-[(3-methoxyoxolan-3-yl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is CCCNC1CC2CCCC(C1)N2CC1(OC)CCOC1.
What is the InChIKey of 9-[(3-methoxyoxolan-3-yl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is DSAPFXNFMWRABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-3-8-18-14-10-15-5-4-6-16(11-14)19(15)12-17(20-2)7-9-21-13-17/h14-16,18H,3-13H2,1-2H3.
What are the key properties of 9-[(3-methoxyoxolan-3-yl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-[(3-methoxyoxolan-3-yl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 296.45 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-methoxyoxolan-3-yl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 104766000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).