8-(3-methylbutyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane

C14H28N2 — CID 166801027

IUPAC8-(3-methylbutyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCCN1CC2CCC(C1)N2CCC(C)C
InChIInChI=1S/C14H28N2/c1-4-8-15-10-13-5-6-14(11-15)16(13)9-7-12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyVATOLPCJKMRZTB-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.59
Rot. Bonds5

About 8-(3-methylbutyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane

8-(3-methylbutyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 166801027) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 8-(3-methylbutyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(3-methylbutyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID166801027
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name8-(3-methylbutyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCCN1CC2CCC(C1)N2CCC(C)C
InChIInChI=1S/C14H28N2/c1-4-8-15-10-13-5-6-14(11-15)16(13)9-7-12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyVATOLPCJKMRZTB-UHFFFAOYSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5R)-8-(2-methylpropyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane
CID 156558140
8-(3-methylbutyl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 168740580
ethane;(1S,5R)-3-pentyl-8-propyl-3,8-diazabicyclo[3.2.1]octane
CID 167520832
2-[6-(3-methylbutyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanol
CID 156729433
(1S,5R)-3-(5-methylhexyl)-8-(2-methyloctyl)-3,8-diazabicyclo[3.2.1]octane
CID 170040117
(1S,5R)-3-(5-methylheptyl)-8-octyl-3,8-diazabicyclo[3.2.1]octane
CID 170008963
8-(3-methylbutyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 20524123
(1R,5S)-8-methyl-3-pentyl-3,8-diazabicyclo[3.2.1]octane
CID 156795020
6-(3-methylbutyl)-3-thia-6-azabicyclo[3.1.1]heptane
CID 172588599
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-(3-methylbutyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 14761806

Frequently Asked Questions

What is the IUPAC name of 8-(3-methylbutyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-(3-methylbutyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane (CID 166801027) is 8-(3-methylbutyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(3-methylbutyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-(3-methylbutyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane is CCCN1CC2CCC(C1)N2CCC(C)C.
What is the InChIKey of 8-(3-methylbutyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is VATOLPCJKMRZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-8-15-10-13-5-6-14(11-15)16(13)9-7-12(2)3/h12-14H,4-11H2,1-3H3.
What are the key properties of 8-(3-methylbutyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane?
8-(3-methylbutyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 224.39 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylbutyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 166801027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).