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

C16H34N2O — CID 112629152

IUPAC1-[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-yl]ethanol
SMILESCCCNCC(C)(CCC)CN1CCC(C(C)O)C1
InChIInChI=1S/C16H34N2O/c1-5-8-16(4,12-17-9-6-2)13-18-10-7-15(11-18)14(3)19/h14-15,17,19H,5-13H2,1-4H3
InChIKeyWNFTWMOBMRUYSV-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.50
Rot. Bonds9

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

1-[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-yl]ethanol (PubChem CID 112629152) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-yl]ethanol
PubChem CID112629152
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-yl]ethanol
SMILESCCCNCC(C)(CCC)CN1CCC(C(C)O)C1
InChIInChI=1S/C16H34N2O/c1-5-8-16(4,12-17-9-6-2)13-18-10-7-15(11-18)14(3)19/h14-15,17,19H,5-13H2,1-4H3
InChIKeyWNFTWMOBMRUYSV-UHFFFAOYSA-N
XLogP2.50
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.50
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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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-yl]ethanol (CID 112629152) is 1-[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-yl]ethanol is CCCNCC(C)(CCC)CN1CCC(C(C)O)C1.
What is the InChIKey of 1-[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-yl]ethanol?
The InChIKey is WNFTWMOBMRUYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-8-16(4,12-17-9-6-2)13-18-10-7-15(11-18)14(3)19/h14-15,17,19H,5-13H2,1-4H3.
What are the key properties of 1-[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-yl]ethanol?
1-[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-yl]ethanol has a molecular weight of 270.46 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112629152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).