[3-(methylamino)-1-propylpyrrolidin-3-yl]methanol

C9H20N2O — CID 117012274

IUPAC[3-(methylamino)-1-propylpyrrolidin-3-yl]methanol
SMILESCCCN1CCC(CO)(NC)C1
InChIInChI=1S/C9H20N2O/c1-3-5-11-6-4-9(7-11,8-12)10-2/h10,12H,3-8H2,1-2H3
InChIKeyUSHIZFGVTBQNBX-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.05
Rot. Bonds4

About [3-(methylamino)-1-propylpyrrolidin-3-yl]methanol

[3-(methylamino)-1-propylpyrrolidin-3-yl]methanol (PubChem CID 117012274) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is [3-(methylamino)-1-propylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(methylamino)-1-propylpyrrolidin-3-yl]methanol
PubChem CID117012274
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name[3-(methylamino)-1-propylpyrrolidin-3-yl]methanol
SMILESCCCN1CCC(CO)(NC)C1
InChIInChI=1S/C9H20N2O/c1-3-5-11-6-4-9(7-11,8-12)10-2/h10,12H,3-8H2,1-2H3
InChIKeyUSHIZFGVTBQNBX-UHFFFAOYSA-N
XLogP0.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanol
CID 117012285
[3-(methylamino)-1-pentylpiperidin-3-yl]methanol
CID 117012596
[1-methyl-3-(methylamino)pyrrolidin-3-yl]methanol
CID 62975688
[4-(propan-2-ylamino)-1-propylpiperidin-4-yl]methanol
CID 61049791
[1-[3-(dimethylamino)propyl]-4-(methylamino)piperidin-4-yl]methanol
CID 117012027
[3-(dimethylamino)-1-propylpyrrolidin-3-yl]methanol
CID 117012362
3-(hydroxymethyl)-1-propylpiperidin-3-ol
CID 130689857
[4-(3-fluoro-5-methylanilino)-1-propylpiperidin-4-yl]methanol
CID 79049543
[4-(3-chloroanilino)-1-propylpiperidin-4-yl]methanol
CID 61049744
(3R)-3-fluoro-3-methyl-1-propylpyrrolidine
CID 177367853
methyl 4-(methylamino)-1-propylpiperidine-4-carboxylate
CID 60787071
4-(methylamino)-1-propylpiperidine-4-carbonitrile
CID 28899448

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)-1-propylpyrrolidin-3-yl]methanol?
The IUPAC name of [3-(methylamino)-1-propylpyrrolidin-3-yl]methanol (CID 117012274) is [3-(methylamino)-1-propylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-(methylamino)-1-propylpyrrolidin-3-yl]methanol?
The canonical SMILES for [3-(methylamino)-1-propylpyrrolidin-3-yl]methanol is CCCN1CCC(CO)(NC)C1.
What is the InChIKey of [3-(methylamino)-1-propylpyrrolidin-3-yl]methanol?
The InChIKey is USHIZFGVTBQNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-5-11-6-4-9(7-11,8-12)10-2/h10,12H,3-8H2,1-2H3.
What are the key properties of [3-(methylamino)-1-propylpyrrolidin-3-yl]methanol?
[3-(methylamino)-1-propylpyrrolidin-3-yl]methanol has a molecular weight of 172.27 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)-1-propylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 117012274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).