N,2,2-trimethyl-3-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide

C17H33N3O — CID 106277918

IUPACN,2,2-trimethyl-3-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide
SMILESCCCNC1CC2CCCC(C1)N2CC(C)(C)C(=O)NC
InChIInChI=1S/C17H33N3O/c1-5-9-19-13-10-14-7-6-8-15(11-13)20(14)12-17(2,3)16(21)18-4/h13-15,19H,5-12H2,1-4H3,(H,18,21)
InChIKeyYMMJYFQOTLOVPV-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.14
Rot. Bonds6

About N,2,2-trimethyl-3-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide

N,2,2-trimethyl-3-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide (PubChem CID 106277918) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N,2,2-trimethyl-3-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide
PubChem CID106277918
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN,2,2-trimethyl-3-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide
SMILESCCCNC1CC2CCCC(C1)N2CC(C)(C)C(=O)NC
InChIInChI=1S/C17H33N3O/c1-5-9-19-13-10-14-7-6-8-15(11-13)20(14)12-17(2,3)16(21)18-4/h13-15,19H,5-12H2,1-4H3,(H,18,21)
InChIKeyYMMJYFQOTLOVPV-UHFFFAOYSA-N
XLogP2.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,2-trimethyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide
CID 114167443
N-propan-2-yl-2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
CID 62712210
9-(3-methylpentan-3-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 106329570
9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711986
N-propyl-9-(2,4,4-trimethylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712605
2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide
CID 62713460
9-[(1-methylcyclopentyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 63831060
9-(1,2-oxazol-3-ylmethyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 81173487
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
9-[2-(oxolan-2-yl)ethyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713145
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N,2,2-trimethylpropanamide
CID 103917229

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide?
The IUPAC name of N,2,2-trimethyl-3-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide (CID 106277918) is N,2,2-trimethyl-3-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide?
The canonical SMILES for N,2,2-trimethyl-3-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide is CCCNC1CC2CCCC(C1)N2CC(C)(C)C(=O)NC.
What is the InChIKey of N,2,2-trimethyl-3-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide?
The InChIKey is YMMJYFQOTLOVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-5-9-19-13-10-14-7-6-8-15(11-13)20(14)12-17(2,3)16(21)18-4/h13-15,19H,5-12H2,1-4H3,(H,18,21).
What are the key properties of N,2,2-trimethyl-3-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide?
N,2,2-trimethyl-3-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide has a molecular weight of 295.47 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide is sourced from PubChem (CID 106277918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).