3-[1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-2-yl]propan-1-ol

C16H32N2O — CID 55076560

IUPAC3-[1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-2-yl]propan-1-ol
SMILESCNCC1(CN2CCCC2CCCO)CCCCC1
InChIInChI=1S/C16H32N2O/c1-17-13-16(9-3-2-4-10-16)14-18-11-5-7-15(18)8-6-12-19/h15,17,19H,2-14H2,1H3
InChIKeyIYNCUDKUNFENBA-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.39
Rot. Bonds7

About 3-[1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 55076560) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-[1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID55076560
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-[1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-2-yl]propan-1-ol
SMILESCNCC1(CN2CCCC2CCCO)CCCCC1
InChIInChI=1S/C16H32N2O/c1-17-13-16(9-3-2-4-10-16)14-18-11-5-7-15(18)8-6-12-19/h15,17,19H,2-14H2,1H3
InChIKeyIYNCUDKUNFENBA-UHFFFAOYSA-N
XLogP2.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-2-yl]propan-1-ol (CID 55076560) is 3-[1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-2-yl]propan-1-ol is CNCC1(CN2CCCC2CCCO)CCCCC1.
What is the InChIKey of 3-[1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is IYNCUDKUNFENBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-17-13-16(9-3-2-4-10-16)14-18-11-5-7-15(18)8-6-12-19/h15,17,19H,2-14H2,1H3.
What are the key properties of 3-[1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 55076560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).