2,6-bis(dideuteriomethylidene)-8-(2-methylpropyl)-1,3,5,7-tetrahydropyrrolizine

C13H21N — CID 176776717

IUPAC2,6-bis(dideuteriomethylidene)-8-(2-methylpropyl)-1,3,5,7-tetrahydropyrrolizine
SMILES[2H]C([2H])=C1CN2CC(=C([2H])[2H])CC2(CC(C)C)C1
InChIInChI=1S/C13H21N/c1-10(2)5-13-6-11(3)8-14(13)9-12(4)7-13/h10H,3-9H2,1-2H3/i3D2,4D2
InChIKeySVIDDCTWLIGRNR-KHORGVISSA-N
MW195.34 g/mol
LogP2.99
Rot. Bonds2

About 2,6-bis(dideuteriomethylidene)-8-(2-methylpropyl)-1,3,5,7-tetrahydropyrrolizine

2,6-bis(dideuteriomethylidene)-8-(2-methylpropyl)-1,3,5,7-tetrahydropyrrolizine (PubChem CID 176776717) has the molecular formula C13H21N and a molecular weight of 195.34 g/mol. Its IUPAC name is 2,6-bis(dideuteriomethylidene)-8-(2-methylpropyl)-1,3,5,7-tetrahydropyrrolizine.

Molecular Properties

Compound Name2,6-bis(dideuteriomethylidene)-8-(2-methylpropyl)-1,3,5,7-tetrahydropyrrolizine
PubChem CID176776717
Molecular FormulaC13H21N
Molecular Weight195.34 g/mol
Exact Mass195.19
IUPAC Name2,6-bis(dideuteriomethylidene)-8-(2-methylpropyl)-1,3,5,7-tetrahydropyrrolizine
SMILES[2H]C([2H])=C1CN2CC(=C([2H])[2H])CC2(CC(C)C)C1
InChIInChI=1S/C13H21N/c1-10(2)5-13-6-11(3)8-14(13)9-12(4)7-13/h10H,3-9H2,1-2H3/i3D2,4D2
InChIKeySVIDDCTWLIGRNR-KHORGVISSA-N
XLogP2.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethylidene-8-(2-methylpropyl)-1,3,5,7-tetrahydropyrrolizine
CID 163977866
ethane;8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 159738289
(6Z,8R)-6-(1-fluoroethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 176776736
(8R)-5,5-dideuterio-6-(difluoromethylidene)-8-(2-methylpropyl)-1,2,3,7-tetrahydropyrrolizine
CID 176776328
(2R,6R)-2,6-difluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 176776231
4-[1-(2-methylpropyl)cyclopropyl]morpholine
CID 170001181
1,1,4-trimethyl-4-(2-methylpropyl)cyclohexane
CID 158706350
[3-methylidene-1-(2-methylpropyl)cyclopentyl]methanediol
CID 142115859
6-[1-(2-methylpropyl)cyclopropyl]-2-oxa-6-azaspiro[3.3]heptane
CID 168841951
ethane;8-(ethoxymethyl)-2,6-dimethylidene-1,3,5,7-tetrahydropyrrolizine;8-(ethoxymethyl)-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 176926604
3-methylidene-5-(sulfanyloxymethyl)-1-azabicyclo[3.2.0]heptane
CID 167178876
8a-(2-methylpropyl)-1,3,4,6,7,8-hexahydropyrrolo[2,1-c][1,4]oxazine
CID 166818663

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(dideuteriomethylidene)-8-(2-methylpropyl)-1,3,5,7-tetrahydropyrrolizine?
The IUPAC name of 2,6-bis(dideuteriomethylidene)-8-(2-methylpropyl)-1,3,5,7-tetrahydropyrrolizine (CID 176776717) is 2,6-bis(dideuteriomethylidene)-8-(2-methylpropyl)-1,3,5,7-tetrahydropyrrolizine.
What is the SMILES notation for 2,6-bis(dideuteriomethylidene)-8-(2-methylpropyl)-1,3,5,7-tetrahydropyrrolizine?
The canonical SMILES for 2,6-bis(dideuteriomethylidene)-8-(2-methylpropyl)-1,3,5,7-tetrahydropyrrolizine is [2H]C([2H])=C1CN2CC(=C([2H])[2H])CC2(CC(C)C)C1.
What is the InChIKey of 2,6-bis(dideuteriomethylidene)-8-(2-methylpropyl)-1,3,5,7-tetrahydropyrrolizine?
The InChIKey is SVIDDCTWLIGRNR-KHORGVISSA-N. The full InChI is InChI=1S/C13H21N/c1-10(2)5-13-6-11(3)8-14(13)9-12(4)7-13/h10H,3-9H2,1-2H3/i3D2,4D2.
What are the key properties of 2,6-bis(dideuteriomethylidene)-8-(2-methylpropyl)-1,3,5,7-tetrahydropyrrolizine?
2,6-bis(dideuteriomethylidene)-8-(2-methylpropyl)-1,3,5,7-tetrahydropyrrolizine has a molecular weight of 195.34 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(dideuteriomethylidene)-8-(2-methylpropyl)-1,3,5,7-tetrahydropyrrolizine is sourced from PubChem (CID 176776717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).