N-cyclopropyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide

C14H25N3O — CID 62712025

IUPACN-cyclopropyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
SMILESCNC1CC2CCCC(C1)N2CC(=O)NC1CC1
InChIInChI=1S/C14H25N3O/c1-15-11-7-12-3-2-4-13(8-11)17(12)9-14(18)16-10-5-6-10/h10-13,15H,2-9H2,1H3,(H,16,18)
InChIKeyIRTURJLSOIFENM-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.87
Rot. Bonds4

About N-cyclopropyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide

N-cyclopropyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide (PubChem CID 62712025) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
PubChem CID62712025
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-cyclopropyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
SMILESCNC1CC2CCCC(C1)N2CC(=O)NC1CC1
InChIInChI=1S/C14H25N3O/c1-15-11-7-12-3-2-4-13(8-11)17(12)9-14(18)16-10-5-6-10/h10-13,15H,2-9H2,1H3,(H,16,18)
InChIKeyIRTURJLSOIFENM-UHFFFAOYSA-N
XLogP0.87
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
CID 62713631
N-methyl-9-(2-methylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 114619140
5-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]pentanamide
CID 106239200
9-(cyclopropylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713964
N-propan-2-yl-2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
CID 62712210
2-cyclobutyl-N-[4-(methylamino)cyclohexyl]acetamide
CID 103162228
N-ethyl-N-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 114134708
2-[2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]ethoxy]acetamide
CID 106239219
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-methylacetamide
CID 63768000
2-[(1S,5R)-3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 7390265
N-(2,3-dimethylcyclohexyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide
CID 63768358
N-methyl-9-(3-methyl-2-propan-2-ylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 102908223

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide (CID 62712025) is N-cyclopropyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide is CNC1CC2CCCC(C1)N2CC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide?
The InChIKey is IRTURJLSOIFENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-15-11-7-12-3-2-4-13(8-11)17(12)9-14(18)16-10-5-6-10/h10-13,15H,2-9H2,1H3,(H,16,18).
What are the key properties of N-cyclopropyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide?
N-cyclopropyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide has a molecular weight of 251.37 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide is sourced from PubChem (CID 62712025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).