5-[[(1-methylcyclopentyl)amino]methyl]pyrrolidin-3-ol

C11H22N2O — CID 66055976

IUPAC5-[[(1-methylcyclopentyl)amino]methyl]pyrrolidin-3-ol
SMILESCC1(NCC2CC(O)CN2)CCCC1
InChIInChI=1S/C11H22N2O/c1-11(4-2-3-5-11)13-7-9-6-10(14)8-12-9/h9-10,12-14H,2-8H2,1H3
InChIKeyCZZIKTDLTMPZIJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.63
Rot. Bonds3

About 5-[[(1-methylcyclopentyl)amino]methyl]pyrrolidin-3-ol

5-[[(1-methylcyclopentyl)amino]methyl]pyrrolidin-3-ol (PubChem CID 66055976) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 5-[[(1-methylcyclopentyl)amino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[[(1-methylcyclopentyl)amino]methyl]pyrrolidin-3-ol
PubChem CID66055976
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name5-[[(1-methylcyclopentyl)amino]methyl]pyrrolidin-3-ol
SMILESCC1(NCC2CC(O)CN2)CCCC1
InChIInChI=1S/C11H22N2O/c1-11(4-2-3-5-11)13-7-9-6-10(14)8-12-9/h9-10,12-14H,2-8H2,1H3
InChIKeyCZZIKTDLTMPZIJ-UHFFFAOYSA-N
XLogP0.63
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1-methylcyclopentyl)amino]methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[[(1-methylcyclopentyl)amino]methyl]pyrrolidin-3-ol (CID 66055976) is 5-[[(1-methylcyclopentyl)amino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[[(1-methylcyclopentyl)amino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[[(1-methylcyclopentyl)amino]methyl]pyrrolidin-3-ol is CC1(NCC2CC(O)CN2)CCCC1.
What is the InChIKey of 5-[[(1-methylcyclopentyl)amino]methyl]pyrrolidin-3-ol?
The InChIKey is CZZIKTDLTMPZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(4-2-3-5-11)13-7-9-6-10(14)8-12-9/h9-10,12-14H,2-8H2,1H3.
What are the key properties of 5-[[(1-methylcyclopentyl)amino]methyl]pyrrolidin-3-ol?
5-[[(1-methylcyclopentyl)amino]methyl]pyrrolidin-3-ol has a molecular weight of 198.31 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-methylcyclopentyl)amino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66055976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).