N'-(1-azabicyclo[2.2.2]octan-3-yl)-N'-methylpropane-1,3-diamine

C11H23N3 — CID 79006515

IUPACN'-(1-azabicyclo[2.2.2]octan-3-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)C1CN2CCC1CC2
InChIInChI=1S/C11H23N3/c1-13(6-2-5-12)11-9-14-7-3-10(11)4-8-14/h10-11H,2-9,12H2,1H3
InChIKeyAVXXZDJJFPADKJ-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.36
Rot. Bonds4

About N'-(1-azabicyclo[2.2.2]octan-3-yl)-N'-methylpropane-1,3-diamine

N'-(1-azabicyclo[2.2.2]octan-3-yl)-N'-methylpropane-1,3-diamine (PubChem CID 79006515) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N'-(1-azabicyclo[2.2.2]octan-3-yl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-azabicyclo[2.2.2]octan-3-yl)-N'-methylpropane-1,3-diamine
PubChem CID79006515
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN'-(1-azabicyclo[2.2.2]octan-3-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)C1CN2CCC1CC2
InChIInChI=1S/C11H23N3/c1-13(6-2-5-12)11-9-14-7-3-10(11)4-8-14/h10-11H,2-9,12H2,1H3
InChIKeyAVXXZDJJFPADKJ-UHFFFAOYSA-N
XLogP0.36
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(1-azabicyclo[2.2.2]octan-3-yl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(1-azabicyclo[2.2.2]octan-3-yl)-N'-methylpropane-1,3-diamine (CID 79006515) is N'-(1-azabicyclo[2.2.2]octan-3-yl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(1-azabicyclo[2.2.2]octan-3-yl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(1-azabicyclo[2.2.2]octan-3-yl)-N'-methylpropane-1,3-diamine is CN(CCCN)C1CN2CCC1CC2.
What is the InChIKey of N'-(1-azabicyclo[2.2.2]octan-3-yl)-N'-methylpropane-1,3-diamine?
The InChIKey is AVXXZDJJFPADKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-13(6-2-5-12)11-9-14-7-3-10(11)4-8-14/h10-11H,2-9,12H2,1H3.
What are the key properties of N'-(1-azabicyclo[2.2.2]octan-3-yl)-N'-methylpropane-1,3-diamine?
N'-(1-azabicyclo[2.2.2]octan-3-yl)-N'-methylpropane-1,3-diamine has a molecular weight of 197.33 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-azabicyclo[2.2.2]octan-3-yl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 79006515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).