7,7-dimethyl-1,2,3,5,6,8-hexahydropyrrolizine

C9H17N — CID 89262386

IUPAC7,7-dimethyl-1,2,3,5,6,8-hexahydropyrrolizine
SMILESCC1(C)CCN2CCCC21
InChIInChI=1S/C9H17N/c1-9(2)5-7-10-6-3-4-8(9)10/h8H,3-7H2,1-2H3
InChIKeyZFZJRUPNWJJXIW-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.88
Rot. Bonds

About 7,7-dimethyl-1,2,3,5,6,8-hexahydropyrrolizine

7,7-dimethyl-1,2,3,5,6,8-hexahydropyrrolizine (PubChem CID 89262386) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 7,7-dimethyl-1,2,3,5,6,8-hexahydropyrrolizine.

Molecular Properties

Compound Name7,7-dimethyl-1,2,3,5,6,8-hexahydropyrrolizine
PubChem CID89262386
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name7,7-dimethyl-1,2,3,5,6,8-hexahydropyrrolizine
SMILESCC1(C)CCN2CCCC21
InChIInChI=1S/C9H17N/c1-9(2)5-7-10-6-3-4-8(9)10/h8H,3-7H2,1-2H3
InChIKeyZFZJRUPNWJJXIW-UHFFFAOYSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7,7-dimethyl-1,2,3,5,6,8-hexahydropyrrolizine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Heliotridane
CID 11094614
1-Methylhexahydro-1H-pyrrolizine
CID 15559671
7a-Methyl-hexahydro-pyrrolizine
CID 13759523
2-Methylhexahydro-1h-pyrrolizine
CID 231455
(2S,8R)-2-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 10877118
rel-(1R,7aS)-1-methylhexahydro-1H-pyrrolizine
CID 639426
(3R,8R)-3,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 10773056
(1R,8R)-1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 11643928
(1S,7AR)-1-methylhexahydro-1H-pyrrolizine
CID 11815356
[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl-trimethylstannane
CID 134999175
(1S,8R)-1-(deuteriomethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 135059859
3-t-Butylpyrrolizidine
CID 13538978

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1,2,3,5,6,8-hexahydropyrrolizine?
The IUPAC name of 7,7-dimethyl-1,2,3,5,6,8-hexahydropyrrolizine (CID 89262386) is 7,7-dimethyl-1,2,3,5,6,8-hexahydropyrrolizine.
What is the SMILES notation for 7,7-dimethyl-1,2,3,5,6,8-hexahydropyrrolizine?
The canonical SMILES for 7,7-dimethyl-1,2,3,5,6,8-hexahydropyrrolizine is CC1(C)CCN2CCCC21.
What is the InChIKey of 7,7-dimethyl-1,2,3,5,6,8-hexahydropyrrolizine?
The InChIKey is ZFZJRUPNWJJXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-9(2)5-7-10-6-3-4-8(9)10/h8H,3-7H2,1-2H3.
What are the key properties of 7,7-dimethyl-1,2,3,5,6,8-hexahydropyrrolizine?
7,7-dimethyl-1,2,3,5,6,8-hexahydropyrrolizine has a molecular weight of 139.24 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1,2,3,5,6,8-hexahydropyrrolizine is sourced from PubChem (CID 89262386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).