1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpyrrolidin-3-amine

C12H23N3 — CID 103575631

IUPAC1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpyrrolidin-3-amine
SMILESCC1CN(C2CCN3CCCC23)CC1N
InChIInChI=1S/C12H23N3/c1-9-7-15(8-10(9)13)12-4-6-14-5-2-3-11(12)14/h9-12H,2-8,13H2,1H3
InChIKeyUGIHULBMRRQBEY-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.50
Rot. Bonds1

About 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpyrrolidin-3-amine

1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpyrrolidin-3-amine (PubChem CID 103575631) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpyrrolidin-3-amine
PubChem CID103575631
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpyrrolidin-3-amine
SMILESCC1CN(C2CCN3CCCC23)CC1N
InChIInChI=1S/C12H23N3/c1-9-7-15(8-10(9)13)12-4-6-14-5-2-3-11(12)14/h9-12H,2-8,13H2,1H3
InChIKeyUGIHULBMRRQBEY-UHFFFAOYSA-N
XLogP0.50
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(2-methylcyclohexyl)pyrrolidin-3-amine
CID 103575116
[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpiperidin-3-yl]methanamine
CID 114959788
2-(3-amino-4-methylpyrrolidin-1-yl)cyclohexan-1-ol
CID 103576741
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 82857025
4-methyl-1-(2-methylcyclopentyl)piperidin-3-amine
CID 65044935
2-(3,4-dimethylpyrrolidin-1-yl)cyclopentan-1-amine
CID 79188038
1-(2,4-dimethylcyclohexyl)-4-methylpyrrolidin-3-amine
CID 103575548
(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-amine
CID 124709446
1-cyclooctyl-4-methylpyrrolidin-3-amine
CID 103575307
(8aR)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 155305626
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dimethylpiperidin-4-amine
CID 79408013
(1R)-1-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 16637720

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpyrrolidin-3-amine (CID 103575631) is 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpyrrolidin-3-amine is CC1CN(C2CCN3CCCC23)CC1N.
What is the InChIKey of 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpyrrolidin-3-amine?
The InChIKey is UGIHULBMRRQBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-9-7-15(8-10(9)13)12-4-6-14-5-2-3-11(12)14/h9-12H,2-8,13H2,1H3.
What are the key properties of 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpyrrolidin-3-amine?
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpyrrolidin-3-amine has a molecular weight of 209.34 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103575631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).