3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]cyclopentan-1-ol

C13H24N2O — CID 106120741

IUPAC3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]cyclopentan-1-ol
SMILESOC1CCC(CNC2CCN3CCCC23)C1
InChIInChI=1S/C13H24N2O/c16-11-4-3-10(8-11)9-14-12-5-7-15-6-1-2-13(12)15/h10-14,16H,1-9H2
InChIKeyMBRUUAIEZUYESS-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.97
Rot. Bonds3

About 3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]cyclopentan-1-ol

3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]cyclopentan-1-ol (PubChem CID 106120741) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]cyclopentan-1-ol
PubChem CID106120741
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]cyclopentan-1-ol
SMILESOC1CCC(CNC2CCN3CCCC23)C1
InChIInChI=1S/C13H24N2O/c16-11-4-3-10(8-11)9-14-12-5-7-15-6-1-2-13(12)15/h10-14,16H,1-9H2
InChIKeyMBRUUAIEZUYESS-UHFFFAOYSA-N
XLogP0.97
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]cyclopentan-1-ol 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

3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]cyclopentan-1-ol
CID 106120890
N-[(4-tert-butylcyclohexyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 104574898
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexan-1-ol
CID 82853106
N-[(1-methylpyrrolidin-2-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 106023953
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 79611466
N-(piperidin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 80554243
2-(cyclopropylmethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
CID 60868335
N-but-2-ynyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62311737
3-[[(2-methoxycyclohexyl)amino]methyl]cyclopentan-1-ol
CID 106120710
N-[(2-methyloxolan-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 114104968
3-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]cyclohexan-1-ol
CID 106132527
3-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]cyclohexan-1-ol
CID 114146600

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]cyclopentan-1-ol (CID 106120741) is 3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]cyclopentan-1-ol is OC1CCC(CNC2CCN3CCCC23)C1.
What is the InChIKey of 3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]cyclopentan-1-ol?
The InChIKey is MBRUUAIEZUYESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c16-11-4-3-10(8-11)9-14-12-5-7-15-6-1-2-13(12)15/h10-14,16H,1-9H2.
What are the key properties of 3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]cyclopentan-1-ol?
3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]cyclopentan-1-ol has a molecular weight of 224.35 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 106120741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).