7-methyl-7-propyl-1,2,3,5,6,8-hexahydropyrrolizine

C11H21N — CID 154510933

IUPAC7-methyl-7-propyl-1,2,3,5,6,8-hexahydropyrrolizine
SMILESCCCC1(C)CCN2CCCC21
InChIInChI=1S/C11H21N/c1-3-6-11(2)7-9-12-8-4-5-10(11)12/h10H,3-9H2,1-2H3
InChIKeyWTJHZTNTWPDZJN-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.66
Rot. Bonds2

About 7-methyl-7-propyl-1,2,3,5,6,8-hexahydropyrrolizine

7-methyl-7-propyl-1,2,3,5,6,8-hexahydropyrrolizine (PubChem CID 154510933) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 7-methyl-7-propyl-1,2,3,5,6,8-hexahydropyrrolizine.

Molecular Properties

Compound Name7-methyl-7-propyl-1,2,3,5,6,8-hexahydropyrrolizine
PubChem CID154510933
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name7-methyl-7-propyl-1,2,3,5,6,8-hexahydropyrrolizine
SMILESCCCC1(C)CCN2CCCC21
InChIInChI=1S/C11H21N/c1-3-6-11(2)7-9-12-8-4-5-10(11)12/h10H,3-9H2,1-2H3
InChIKeyWTJHZTNTWPDZJN-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(propylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile
CID 82854037
(1R,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 101202509
(1S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 163074803
[1-(2,2-dimethylhydrazinyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine
CID 83010988
1-(2-cyclopropylethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 106590583
1-(aminomethyl)-N-methyl-N-pentyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82854020
ethyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)butanoate
CID 82855879
1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
CID 82853255
cis-(1R,2R)-1-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 101409360
2-methyl-2-propylcyclobutan-1-ol
CID 89040523
methyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82857076
1-(aminomethyl)-N-butan-2-yl-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853930

Frequently Asked Questions

What is the IUPAC name of 7-methyl-7-propyl-1,2,3,5,6,8-hexahydropyrrolizine?
The IUPAC name of 7-methyl-7-propyl-1,2,3,5,6,8-hexahydropyrrolizine (CID 154510933) is 7-methyl-7-propyl-1,2,3,5,6,8-hexahydropyrrolizine.
What is the SMILES notation for 7-methyl-7-propyl-1,2,3,5,6,8-hexahydropyrrolizine?
The canonical SMILES for 7-methyl-7-propyl-1,2,3,5,6,8-hexahydropyrrolizine is CCCC1(C)CCN2CCCC21.
What is the InChIKey of 7-methyl-7-propyl-1,2,3,5,6,8-hexahydropyrrolizine?
The InChIKey is WTJHZTNTWPDZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-6-11(2)7-9-12-8-4-5-10(11)12/h10H,3-9H2,1-2H3.
What are the key properties of 7-methyl-7-propyl-1,2,3,5,6,8-hexahydropyrrolizine?
7-methyl-7-propyl-1,2,3,5,6,8-hexahydropyrrolizine has a molecular weight of 167.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-7-propyl-1,2,3,5,6,8-hexahydropyrrolizine is sourced from PubChem (CID 154510933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).