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

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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).