1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-ol

C14H30N2O — CID 55131551

IUPAC1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-ol
SMILESCCCNCC(C)(CCC)CN1CCC(O)C1
InChIInChI=1S/C14H30N2O/c1-4-7-14(3,11-15-8-5-2)12-16-9-6-13(17)10-16/h13,15,17H,4-12H2,1-3H3
InChIKeyFFDBZOGHHPOQTO-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.86
Rot. Bonds8

About 1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-ol

1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-ol (PubChem CID 55131551) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-ol
PubChem CID55131551
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-ol
SMILESCCCNCC(C)(CCC)CN1CCC(O)C1
InChIInChI=1S/C14H30N2O/c1-4-7-14(3,11-15-8-5-2)12-16-9-6-13(17)10-16/h13,15,17H,4-12H2,1-3H3
InChIKeyFFDBZOGHHPOQTO-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.86
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

1-[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-yl]ethanol
CID 112629152
1-[2-(aminomethyl)-2-methylpentyl]pyrrolidin-3-ol
CID 62941187
1-[2-methyl-2-(methylaminomethyl)pentyl]piperidin-3-ol
CID 62260870
3-methyl-1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-ol
CID 114681883
8-[2-methyl-2-(propylaminomethyl)pentyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63768757
1-[3-(propylamino)propyl]pyrrolidin-3-ol
CID 62942273
1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]pyrrolidin-3-ol
CID 62943597
1-[2-(hydroxymethyl)-2-methylpentyl]piperidin-4-ol
CID 62272555
[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-2-yl]methanol
CID 62260314
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-methyl-N-propylpentan-1-amine
CID 63494602
1-[2-ethyl-2-(propylaminomethyl)butyl]-4-methylpiperidin-3-ol
CID 102966934
2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 62257595

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-ol (CID 55131551) is 1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-ol is CCCNCC(C)(CCC)CN1CCC(O)C1.
What is the InChIKey of 1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-ol?
The InChIKey is FFDBZOGHHPOQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-7-14(3,11-15-8-5-2)12-16-9-6-13(17)10-16/h13,15,17H,4-12H2,1-3H3.
What are the key properties of 1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-ol?
1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-ol has a molecular weight of 242.41 g/mol, XLogP of 1.86, 8 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-3-ol is sourced from PubChem (CID 55131551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).