9-[1-(diethylamino)propan-2-yl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

C18H37N3 — CID 62714544

IUPAC9-[1-(diethylamino)propan-2-yl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2C(C)CN(CC)CC
InChIInChI=1S/C18H37N3/c1-5-11-19-16-12-17-9-8-10-18(13-16)21(17)15(4)14-20(6-2)7-3/h15-19H,5-14H2,1-4H3
InChIKeyZHTWNOMJSWJWSF-UHFFFAOYSA-N
MW295.51 g/mol
LogP3.10
Rot. Bonds8

About 9-[1-(diethylamino)propan-2-yl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

9-[1-(diethylamino)propan-2-yl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62714544) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 9-[1-(diethylamino)propan-2-yl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-[1-(diethylamino)propan-2-yl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62714544
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name9-[1-(diethylamino)propan-2-yl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2C(C)CN(CC)CC
InChIInChI=1S/C18H37N3/c1-5-11-19-16-12-17-9-8-10-18(13-16)21(17)15(4)14-20(6-2)7-3/h15-19H,5-14H2,1-4H3
InChIKeyZHTWNOMJSWJWSF-UHFFFAOYSA-N
XLogP3.10
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(1-methylsulfonylpropan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 64642499
9-(3-ethylpentan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 63841442
8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738418
2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide
CID 62713460
8-(3-methylbutan-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738581
9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711986
N-propan-2-yl-2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
CID 62712210
9-(2-methylsulfanylpropyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 113466928
N-ethyl-9-(1-pyrrolidin-1-ylpropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713666
N,N-dimethyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide
CID 62738998
9-(3-methylpentan-3-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 106329570
8-(2,6-dimethylpiperidin-1-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 83024323

Frequently Asked Questions

What is the IUPAC name of 9-[1-(diethylamino)propan-2-yl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-[1-(diethylamino)propan-2-yl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 62714544) is 9-[1-(diethylamino)propan-2-yl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-[1-(diethylamino)propan-2-yl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-[1-(diethylamino)propan-2-yl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is CCCNC1CC2CCCC(C1)N2C(C)CN(CC)CC.
What is the InChIKey of 9-[1-(diethylamino)propan-2-yl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is ZHTWNOMJSWJWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-5-11-19-16-12-17-9-8-10-18(13-16)21(17)15(4)14-20(6-2)7-3/h15-19H,5-14H2,1-4H3.
What are the key properties of 9-[1-(diethylamino)propan-2-yl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-[1-(diethylamino)propan-2-yl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 295.51 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(diethylamino)propan-2-yl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62714544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).