N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-N'-methylpropane-1,3-diamine

C11H23N3 — CID 82855350

IUPACN'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)C1CCN2CCCC12
InChIInChI=1S/C11H23N3/c1-13(7-3-6-12)10-5-9-14-8-2-4-11(10)14/h10-11H,2-9,12H2,1H3
InChIKeyOCCXPLCFKWDEPK-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.50
Rot. Bonds4

About N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-N'-methylpropane-1,3-diamine

N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-N'-methylpropane-1,3-diamine (PubChem CID 82855350) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-N'-methylpropane-1,3-diamine
PubChem CID82855350
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)C1CCN2CCCC12
InChIInChI=1S/C11H23N3/c1-13(7-3-6-12)10-5-9-14-8-2-4-11(10)14/h10-11H,2-9,12H2,1H3
InChIKeyOCCXPLCFKWDEPK-UHFFFAOYSA-N
XLogP0.50
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-N'-methylpropane-1,3-diamine with MolForge

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Related Compounds

N'-[(2S)-1-ethylpyrrolidin-2-yl]-N'-methylpropane-1,3-diamine
CID 94063622
N'-[(2R)-1-ethylpyrrolidin-2-yl]-N'-methylpropane-1,3-diamine
CID 94063621
N,N-diethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 130606432
N'-(1-azabicyclo[2.2.2]octan-3-yl)-N'-methylpropane-1,3-diamine
CID 79006515
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866
N'-(2-tert-butylcyclohexyl)-N'-methylpropane-1,3-diamine
CID 115318685
[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanamine
CID 129361363
N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82718003
N'-(1-cyclohexylpiperidin-3-yl)-N'-methylethane-1,2-diamine
CID 117004717
(4aR,8aR)-N-(3-aminopropyl)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-sulfonamide
CID 102726076
N'-methyl-N'-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propane-1,3-diamine
CID 115318700
N'-cyclopropyl-N'-methylhexane-1,6-diamine
CID 43265095

Frequently Asked Questions

What is the IUPAC name of N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-N'-methylpropane-1,3-diamine (CID 82855350) is N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-N'-methylpropane-1,3-diamine is CN(CCCN)C1CCN2CCCC12.
What is the InChIKey of N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-N'-methylpropane-1,3-diamine?
The InChIKey is OCCXPLCFKWDEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-13(7-3-6-12)10-5-9-14-8-2-4-11(10)14/h10-11H,2-9,12H2,1H3.
What are the key properties of N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-N'-methylpropane-1,3-diamine?
N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-N'-methylpropane-1,3-diamine has a molecular weight of 197.33 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 82855350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).