(1S,5R)-8-(2-methylpropyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane

C13H26N2 — CID 156558140

IUPAC(1S,5R)-8-(2-methylpropyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCCN1C[C@H]2CC[C@@H](C1)N2CC(C)C
InChIInChI=1S/C13H26N2/c1-4-7-14-9-12-5-6-13(10-14)15(12)8-11(2)3/h11-13H,4-10H2,1-3H3/t12-,13+
InChIKeyODXDBWAGOGVPBN-BETUJISGSA-N
MW210.36 g/mol
LogP2.20
Rot. Bonds4

About (1S,5R)-8-(2-methylpropyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane

(1S,5R)-8-(2-methylpropyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 156558140) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is (1S,5R)-8-(2-methylpropyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-8-(2-methylpropyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID156558140
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name(1S,5R)-8-(2-methylpropyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCCN1C[C@H]2CC[C@@H](C1)N2CC(C)C
InChIInChI=1S/C13H26N2/c1-4-7-14-9-12-5-6-13(10-14)15(12)8-11(2)3/h11-13H,4-10H2,1-3H3/t12-,13+
InChIKeyODXDBWAGOGVPBN-BETUJISGSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-(3-methylbutyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane
CID 166801027
(1S,5R)-3-(5-methylhexyl)-8-(2-methyloctyl)-3,8-diazabicyclo[3.2.1]octane
CID 170040117
ethane;(1S,5R)-3-pentyl-8-propyl-3,8-diazabicyclo[3.2.1]octane
CID 167520832
(1S,5R)-8-(2-hexyloctyl)-3-(5-methylnonyl)-3,8-diazabicyclo[3.2.1]octane
CID 170006831
1-[(1S,5R)-8-(2-methylpropyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]hexan-1-one
CID 170268562
ethane;1-[(1S,5R)-8-(2-methylpropyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pentan-1-one
CID 166118603
(1R,5S)-8-methyl-3-pentyl-3,8-diazabicyclo[3.2.1]octane
CID 156795020
(1S,5R)-3-(5-methylheptyl)-8-octyl-3,8-diazabicyclo[3.2.1]octane
CID 170008963
3-heptyl-8-methyl-3,8-diazabicyclo[3.2.1]octane
CID 165145974
2-methyl-5-propyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185272
2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane
CID 129193409
1-(1-propylazetidin-3-yl)pyrrolidine-2,5-dione
CID 121183852

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-(2-methylpropyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-8-(2-methylpropyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane (CID 156558140) is (1S,5R)-8-(2-methylpropyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-8-(2-methylpropyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-8-(2-methylpropyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane is CCCN1C[C@H]2CC[C@@H](C1)N2CC(C)C.
What is the InChIKey of (1S,5R)-8-(2-methylpropyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is ODXDBWAGOGVPBN-BETUJISGSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-7-14-9-12-5-6-13(10-14)15(12)8-11(2)3/h11-13H,4-10H2,1-3H3/t12-,13+.
What are the key properties of (1S,5R)-8-(2-methylpropyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane?
(1S,5R)-8-(2-methylpropyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 210.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-(2-methylpropyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 156558140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).