N-propan-2-yl-2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide

C16H31N3O — CID 62712210

IUPACN-propan-2-yl-2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
SMILESCCCNC1CC2CCCC(C1)N2CC(=O)NC(C)C
InChIInChI=1S/C16H31N3O/c1-4-8-17-13-9-14-6-5-7-15(10-13)19(14)11-16(20)18-12(2)3/h12-15,17H,4-11H2,1-3H3,(H,18,20)
InChIKeyIURSOUKTQQCWRD-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.90
Rot. Bonds6

About N-propan-2-yl-2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide

N-propan-2-yl-2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide (PubChem CID 62712210) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-propan-2-yl-2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
PubChem CID62712210
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-propan-2-yl-2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
SMILESCCCNC1CC2CCCC(C1)N2CC(=O)NC(C)C
InChIInChI=1S/C16H31N3O/c1-4-8-17-13-9-14-6-5-7-15(10-13)19(14)11-16(20)18-12(2)3/h12-15,17H,4-11H2,1-3H3,(H,18,20)
InChIKeyIURSOUKTQQCWRD-UHFFFAOYSA-N
XLogP1.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-propan-2-yl-2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide 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-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide
CID 62713460
9-(2-methylsulfanylpropyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 113466928
9-(3-ethylpentan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 63841442
N,2,2-trimethyl-3-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide
CID 106277918
9-(1-methylsulfonylpropan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 64642499
8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738418
9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711986
N,N-dimethyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide
CID 62738998
9-[1-(diethylamino)propan-2-yl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714544
N-propan-2-yl-3-[4-(propylamino)piperidin-1-yl]propanamide
CID 62624983
N-cyclopropyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
CID 62712025
9-[(1-methylcyclopentyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 63831060

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide?
The IUPAC name of N-propan-2-yl-2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide (CID 62712210) is N-propan-2-yl-2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide is CCCNC1CC2CCCC(C1)N2CC(=O)NC(C)C.
What is the InChIKey of N-propan-2-yl-2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide?
The InChIKey is IURSOUKTQQCWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-4-8-17-13-9-14-6-5-7-15(10-13)19(14)11-16(20)18-12(2)3/h12-15,17H,4-11H2,1-3H3,(H,18,20).
What are the key properties of N-propan-2-yl-2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide?
N-propan-2-yl-2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide has a molecular weight of 281.44 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide is sourced from PubChem (CID 62712210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).