N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)formamide

C9H17N3O — CID 131114990

IUPACN-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)formamide
SMILESO=CNCC1CN2CCCN1CC2
InChIInChI=1S/C9H17N3O/c13-8-10-6-9-7-11-2-1-3-12(9)5-4-11/h8-9H,1-7H2,(H,10,13)
InChIKeyIEIHULHVUDYUEQ-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.88
Rot. Bonds3

About N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)formamide

N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)formamide (PubChem CID 131114990) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)formamide.

Molecular Properties

Compound NameN-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)formamide
PubChem CID131114990
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)formamide
SMILESO=CNCC1CN2CCCN1CC2
InChIInChI=1S/C9H17N3O/c13-8-10-6-9-7-11-2-1-3-12(9)5-4-11/h8-9H,1-7H2,(H,10,13)
InChIKeyIEIHULHVUDYUEQ-UHFFFAOYSA-N
XLogP-0.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)formamide 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

1-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-N-methylmethanamine
CID 97102843
2-cyclohexyl-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide
CID 90567443
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)thian-4-amine
CID 115750555
ethane;N-[(1-methylpyrrolidin-3-yl)methyl]formamide
CID 145231026
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)oxan-3-amine
CID 115895111
3-[[(2S)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-1-methylurea
CID 129445929
6-propan-2-yl-1,5-diazabicyclo[3.2.2]nonane
CID 158062816
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 90567503
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(4-phenylphenyl)acetamide
CID 90567577
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]formamide
CID 64992436
N-(pyrrolidin-2-ylmethyl)formamide
CID 72555497
2-pentyl-1,4-diazabicyclo[2.2.2]octane
CID 66810184

Frequently Asked Questions

What is the IUPAC name of N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)formamide?
The IUPAC name of N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)formamide (CID 131114990) is N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)formamide.
What is the SMILES notation for N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)formamide?
The canonical SMILES for N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)formamide is O=CNCC1CN2CCCN1CC2.
What is the InChIKey of N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)formamide?
The InChIKey is IEIHULHVUDYUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c13-8-10-6-9-7-11-2-1-3-12(9)5-4-11/h8-9H,1-7H2,(H,10,13).
What are the key properties of N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)formamide?
N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)formamide has a molecular weight of 183.25 g/mol, XLogP of -0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)formamide is sourced from PubChem (CID 131114990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).