9-[(1-methylcyclopropyl)methyl]-3,9-diazabicyclo[4.2.1]nonane

C12H22N2 — CID 131160169

IUPAC9-[(1-methylcyclopropyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
SMILESCC1(CN2C3CCNCC2CC3)CC1
InChIInChI=1S/C12H22N2/c1-12(5-6-12)9-14-10-2-3-11(14)8-13-7-4-10/h10-11,13H,2-9H2,1H3
InChIKeyIEBMVVCWXCYFRW-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.61
Rot. Bonds2

About 9-[(1-methylcyclopropyl)methyl]-3,9-diazabicyclo[4.2.1]nonane

9-[(1-methylcyclopropyl)methyl]-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 131160169) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 9-[(1-methylcyclopropyl)methyl]-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name9-[(1-methylcyclopropyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
PubChem CID131160169
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name9-[(1-methylcyclopropyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
SMILESCC1(CN2C3CCNCC2CC3)CC1
InChIInChI=1S/C12H22N2/c1-12(5-6-12)9-14-10-2-3-11(14)8-13-7-4-10/h10-11,13H,2-9H2,1H3
InChIKeyIEBMVVCWXCYFRW-UHFFFAOYSA-N
XLogP1.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-[(1-methylcyclopropyl)methyl]-3,9-diazabicyclo[4.2.1]nonane 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

2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide
CID 130763606
3-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]propanoic acid
CID 130884712
(1R,6S)-9-benzyl-3,9-diazabicyclo[4.2.1]nonane
CID 51893403
(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride
CID 75530864
(1R,6S)-9-[(1-methylimidazol-2-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 133117917
1-cyclopropyl-4-[(4-methylpiperidin-4-yl)methyl]piperazine
CID 63122830
9-[(2,6-difluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 120966791
9-[(2,6-difluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120966790
(1R,6R)-9-[(4-propoxyphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 98295740
9-butan-2-yl-3,9-diazabicyclo[4.2.1]nonane
CID 82240951
4-[(1-methylcyclopropyl)methyl]piperidine
CID 67123007
(1R,6R)-10-benzyl-3,10-diazabicyclo[4.3.1]decane
CID 98049755

Frequently Asked Questions

What is the IUPAC name of 9-[(1-methylcyclopropyl)methyl]-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 9-[(1-methylcyclopropyl)methyl]-3,9-diazabicyclo[4.2.1]nonane (CID 131160169) is 9-[(1-methylcyclopropyl)methyl]-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 9-[(1-methylcyclopropyl)methyl]-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 9-[(1-methylcyclopropyl)methyl]-3,9-diazabicyclo[4.2.1]nonane is CC1(CN2C3CCNCC2CC3)CC1.
What is the InChIKey of 9-[(1-methylcyclopropyl)methyl]-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is IEBMVVCWXCYFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-12(5-6-12)9-14-10-2-3-11(14)8-13-7-4-10/h10-11,13H,2-9H2,1H3.
What are the key properties of 9-[(1-methylcyclopropyl)methyl]-3,9-diazabicyclo[4.2.1]nonane?
9-[(1-methylcyclopropyl)methyl]-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 194.32 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1-methylcyclopropyl)methyl]-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 131160169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).