3-(4-methyloctan-4-yl)-3,6-diazabicyclo[3.2.1]octane

C15H30N2 — CID 130337399

IUPAC3-(4-methyloctan-4-yl)-3,6-diazabicyclo[3.2.1]octane
SMILESCCCCC(C)(CCC)N1CC2CNC(C2)C1
InChIInChI=1S/C15H30N2/c1-4-6-8-15(3,7-5-2)17-11-13-9-14(12-17)16-10-13/h13-14,16H,4-12H2,1-3H3
InChIKeyBXANSEARMAAFDE-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds6

About 3-(4-methyloctan-4-yl)-3,6-diazabicyclo[3.2.1]octane

3-(4-methyloctan-4-yl)-3,6-diazabicyclo[3.2.1]octane (PubChem CID 130337399) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-(4-methyloctan-4-yl)-3,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(4-methyloctan-4-yl)-3,6-diazabicyclo[3.2.1]octane
PubChem CID130337399
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3-(4-methyloctan-4-yl)-3,6-diazabicyclo[3.2.1]octane
SMILESCCCCC(C)(CCC)N1CC2CNC(C2)C1
InChIInChI=1S/C15H30N2/c1-4-6-8-15(3,7-5-2)17-11-13-9-14(12-17)16-10-13/h13-14,16H,4-12H2,1-3H3
InChIKeyBXANSEARMAAFDE-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-methyldodecan-6-yl)azetidin-3-amine
CID 130337700
1-(5-methyldecan-5-yl)azetidine-3-carboxylic acid
CID 154981972
1-(7-methyltetradecan-7-yl)-1,3-diazetidine
CID 139436879
5-(6-methyldodecan-6-yl)-N-(7-methyltridecan-7-yl)-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
CID 139315711
1,2-dimethyl-4-(4-methylnonan-4-yl)piperazine
CID 139518624
3,6-diazabicyclo[3.2.1]octan-3-amine;ethane
CID 166166562
2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine
CID 80557534
1-(7-methyltridecan-7-yl)pyrrolidine
CID 131990775
4-(5-methyldodecan-5-yl)morpholine
CID 138551223
1-methyl-4-(6-methylundecan-6-yl)piperazine
CID 170232998
1-(3-methylheptan-3-yl)piperidine
CID 154999026
(3R)-N-methyl-1-(3-methylheptan-3-yl)pyrrolidin-3-amine
CID 139373164

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyloctan-4-yl)-3,6-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-(4-methyloctan-4-yl)-3,6-diazabicyclo[3.2.1]octane (CID 130337399) is 3-(4-methyloctan-4-yl)-3,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(4-methyloctan-4-yl)-3,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-(4-methyloctan-4-yl)-3,6-diazabicyclo[3.2.1]octane is CCCCC(C)(CCC)N1CC2CNC(C2)C1.
What is the InChIKey of 3-(4-methyloctan-4-yl)-3,6-diazabicyclo[3.2.1]octane?
The InChIKey is BXANSEARMAAFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-6-8-15(3,7-5-2)17-11-13-9-14(12-17)16-10-13/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 3-(4-methyloctan-4-yl)-3,6-diazabicyclo[3.2.1]octane?
3-(4-methyloctan-4-yl)-3,6-diazabicyclo[3.2.1]octane has a molecular weight of 238.42 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyloctan-4-yl)-3,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 130337399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).