5-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]pentanamide

C14H27N3O — CID 106239200

IUPAC5-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]pentanamide
SMILESCNC1CC2CCCC(C1)N2CCCCC(N)=O
InChIInChI=1S/C14H27N3O/c1-16-11-9-12-5-4-6-13(10-11)17(12)8-3-2-7-14(15)18/h11-13,16H,2-10H2,1H3,(H2,15,18)
InChIKeyIXKBGTLKCAATEX-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.25
Rot. Bonds6

About 5-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]pentanamide

5-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]pentanamide (PubChem CID 106239200) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 5-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]pentanamide.

Molecular Properties

Compound Name5-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]pentanamide
PubChem CID106239200
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name5-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]pentanamide
SMILESCNC1CC2CCCC(C1)N2CCCCC(N)=O
InChIInChI=1S/C14H27N3O/c1-16-11-9-12-5-4-6-13(10-11)17(12)8-3-2-7-14(15)18/h11-13,16H,2-10H2,1H3,(H2,15,18)
InChIKeyIXKBGTLKCAATEX-UHFFFAOYSA-N
XLogP1.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]ethoxy]acetamide
CID 106239219
N-methyl-9-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 113328114
N-methyl-9-(3-morpholin-4-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712744
N,N-dimethyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
CID 62713631
N-cyclopropyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
CID 62712025
N-methyl-8-(3-methylsulfonylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 55106812
9-(cyclopropylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713964
ethyl 4-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate
CID 64578760
N-methyl-9-(2-methylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 114619140
N-methyl-9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105936
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propanamide
CID 92917685
8-(2-fluoroethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 130504670

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]pentanamide?
The IUPAC name of 5-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]pentanamide (CID 106239200) is 5-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]pentanamide.
What is the SMILES notation for 5-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]pentanamide?
The canonical SMILES for 5-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]pentanamide is CNC1CC2CCCC(C1)N2CCCCC(N)=O.
What is the InChIKey of 5-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]pentanamide?
The InChIKey is IXKBGTLKCAATEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-16-11-9-12-5-4-6-13(10-11)17(12)8-3-2-7-14(15)18/h11-13,16H,2-10H2,1H3,(H2,15,18).
What are the key properties of 5-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]pentanamide?
5-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]pentanamide has a molecular weight of 253.39 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]pentanamide is sourced from PubChem (CID 106239200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).