3-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.1]octane

C10H18N2 — CID 91385368

IUPAC3-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.1]octane
SMILESC1CC1CN1CC2CNC(C2)C1
InChIInChI=1S/C10H18N2/c1-2-8(1)5-12-6-9-3-10(7-12)11-4-9/h8-11H,1-7H2
InChIKeyBHBANKKVOVHQDI-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.69
Rot. Bonds2

About 3-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.1]octane

3-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.1]octane (PubChem CID 91385368) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.1]octane
PubChem CID91385368
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.1]octane
SMILESC1CC1CN1CC2CNC(C2)C1
InChIInChI=1S/C10H18N2/c1-2-8(1)5-12-6-9-3-10(7-12)11-4-9/h8-11H,1-7H2
InChIKeyBHBANKKVOVHQDI-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methyl-3,6-diazabicyclo(3.2.1)octane dihydrochloride
CID 13999282
3-Methyl-3,6-diazabicyclo[3.2.1]octane
CID 13999283
3-Methyl-1-(pyrrolidin-2-ylmethyl)piperidine
CID 17389881
3,6-Diazabicyclo[3.2.1]octane
CID 22121937
6-Methyl-3,6-diazabicyclo[3.2.1]octane
CID 13999281
1-Azabicyclo[3.2.1]octan-6-amine
CID 55288950
8-[(2,2-Difluorocyclopropyl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 171740091
8-Fluoro-3,6-diazabicyclo[3.2.1]octane
CID 105427520
8-Fluoro-6-methyl-3,6-diazabicyclo[3.2.1]octane
CID 105428656
6-Ethyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane
CID 105431024
8-Fluoro-6,8-dimethyl-3,6-diazabicyclo[3.2.1]octane
CID 105431025
6-Cyclopropyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane
CID 105434540

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.1]octane (CID 91385368) is 3-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.1]octane is C1CC1CN1CC2CNC(C2)C1.
What is the InChIKey of 3-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.1]octane?
The InChIKey is BHBANKKVOVHQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-8(1)5-12-6-9-3-10(7-12)11-4-9/h8-11H,1-7H2.
What are the key properties of 3-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.1]octane?
3-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.1]octane has a molecular weight of 166.27 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 91385368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).