1-pentyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide

C12H23N3O — CID 155270750

IUPAC1-pentyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
SMILESCCCCCC12CCC(CNC1)N2C(N)=O
InChIInChI=1S/C12H23N3O/c1-2-3-4-6-12-7-5-10(8-14-9-12)15(12)11(13)16/h10,14H,2-9H2,1H3,(H2,13,16)
InChIKeyVSKYOAKDRKDGOR-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.45
Rot. Bonds4

About 1-pentyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide

1-pentyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 155270750) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-pentyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name1-pentyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
PubChem CID155270750
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-pentyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
SMILESCCCCCC12CCC(CNC1)N2C(N)=O
InChIInChI=1S/C12H23N3O/c1-2-3-4-6-12-7-5-10(8-14-9-12)15(12)11(13)16/h10,14H,2-9H2,1H3,(H2,13,16)
InChIKeyVSKYOAKDRKDGOR-UHFFFAOYSA-N
XLogP1.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 1-[[(2,2,2-trifluoroacetyl)amino]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 166137172
(5S)-9-acetyl-1-pentyl-9-azabicyclo[3.3.1]nonan-3-one
CID 135039954
N-cyclohexyl-N-ethyl-1-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 175700571
1-butyl-3-azabicyclo[3.2.1]octane
CID 84765341
11-(3-tridecyl-1-bicyclo[1.1.1]pentanyl)undecanamide
CID 175975616
1-decylcyclobutane-1-carboxamide
CID 10037267
3-hexylpyrrolidine-3-carboxylic acid
CID 63140617
6-ethyl-2-methyl-2-pentylmorpholine
CID 80558910
1-pentylbicyclo[2.2.2]octane
CID 13184608
4-methyl-1-pentylcyclohexan-1-ol
CID 65147316
1-cyclopropyl-3-hexylpyrrolidin-3-ol
CID 65145661
4,4-dihexylcyclohexane-1-carboxylic acid
CID 142634765

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of 1-pentyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide (CID 155270750) is 1-pentyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for 1-pentyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for 1-pentyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide is CCCCCC12CCC(CNC1)N2C(N)=O.
What is the InChIKey of 1-pentyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is VSKYOAKDRKDGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-2-3-4-6-12-7-5-10(8-14-9-12)15(12)11(13)16/h10,14H,2-9H2,1H3,(H2,13,16).
What are the key properties of 1-pentyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
1-pentyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 225.34 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 155270750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).