[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-2-yl]methanol

C15H32N2O — CID 62260314

IUPAC[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-2-yl]methanol
SMILESCCCNCC(C)(CCC)CN1CCCC1CO
InChIInChI=1S/C15H32N2O/c1-4-8-15(3,12-16-9-5-2)13-17-10-6-7-14(17)11-18/h14,16,18H,4-13H2,1-3H3
InChIKeyAXWIIRRCKKAGNL-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.25
Rot. Bonds9

About [1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-2-yl]methanol

[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-2-yl]methanol (PubChem CID 62260314) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is [1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-2-yl]methanol
PubChem CID62260314
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-2-yl]methanol
SMILESCCCNCC(C)(CCC)CN1CCCC1CO
InChIInChI=1S/C15H32N2O/c1-4-8-15(3,12-16-9-5-2)13-17-10-6-7-14(17)11-18/h14,16,18H,4-13H2,1-3H3
InChIKeyAXWIIRRCKKAGNL-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-methyl-N-propylpentan-1-amine
CID 63494602
[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]methanol
CID 62261349
[1-[2-(propylamino)ethyl]azepan-2-yl]methanol
CID 116637143
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol
CID 62890251
2-[1-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]piperidin-2-yl]ethanol
CID 62261558
8-[2-methyl-2-(propylaminomethyl)pentyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63768757
2-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine
CID 62256342
1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-ol
CID 55131551
N-tert-butyl-2-methyl-2-[(2-propylpiperidin-1-yl)methyl]pentan-1-amine
CID 83046317
2-[(2-ethylazepan-1-yl)methyl]-2-methylpentan-1-ol
CID 113441966
[1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol
CID 103069579
3-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol
CID 64790955

Frequently Asked Questions

What is the IUPAC name of [1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-2-yl]methanol (CID 62260314) is [1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-2-yl]methanol is CCCNCC(C)(CCC)CN1CCCC1CO.
What is the InChIKey of [1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-2-yl]methanol?
The InChIKey is AXWIIRRCKKAGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-8-15(3,12-16-9-5-2)13-17-10-6-7-14(17)11-18/h14,16,18H,4-13H2,1-3H3.
What are the key properties of [1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-2-yl]methanol?
[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-2-yl]methanol has a molecular weight of 256.43 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62260314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).