ethane;8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine

C13H27N — CID 159738289

IUPACethane;8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC.CC(C)CC12CCCN1CCC2
InChIInChI=1S/C11H21N.C2H6/c1-10(2)9-11-5-3-7-12(11)8-4-6-11;1-2/h10H,3-9H2,1-2H3;1-2H3
InChIKeyNCCRELBSVHMVGT-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.69
Rot. Bonds2

About ethane;8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine

ethane;8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 159738289) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is ethane;8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Nameethane;8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID159738289
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Nameethane;8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC.CC(C)CC12CCCN1CCC2
InChIInChI=1S/C11H21N.C2H6/c1-10(2)9-11-5-3-7-12(11)8-4-6-11;1-2/h10H,3-9H2,1-2H3;1-2H3
InChIKeyNCCRELBSVHMVGT-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8a-(2-methylpropyl)-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine
CID 166818663
4-[1-(2-methylpropyl)cyclopropyl]morpholine
CID 170001181
tert-butyl 4-[1-(2-methylpropyl)cyclopentyl]piperazine-1-carboxylate
CID 71134902
(6Z,8R)-6-(1-fluoroethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 176776736
8-ethyl-1,2,3,5,6,7-hexahydropyrrolizine;hydrofluoride
CID 168881533
(8R)-5,5-dideuterio-6-(difluoromethylidene)-8-(2-methylpropyl)-1,2,3,7-tetrahydropyrrolizine
CID 176776328
ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 168942817
(8aS)-7,7-difluoro-8a-(propan-2-yloxymethyl)-1,2,3,5,6,8-hexahydroindolizine
CID 171769711
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine
CID 10654304
8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine;ethane
CID 164878560
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;hydrochloride
CID 12691221
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;methane
CID 164534379

Frequently Asked Questions

What is the IUPAC name of ethane;8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of ethane;8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 159738289) is ethane;8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for ethane;8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for ethane;8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine is CC.CC(C)CC12CCCN1CCC2.
What is the InChIKey of ethane;8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is NCCRELBSVHMVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.C2H6/c1-10(2)9-11-5-3-7-12(11)8-4-6-11;1-2/h10H,3-9H2,1-2H3;1-2H3.
What are the key properties of ethane;8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine?
ethane;8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 197.37 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 159738289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).