[1-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-methylcyclohexyl]methanol

C16H32N2O — CID 81470151

IUPAC[1-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(CN2CC(C)C(N(C)C)C2)CC1
InChIInChI=1S/C16H32N2O/c1-13-5-7-16(12-19,8-6-13)11-18-9-14(2)15(10-18)17(3)4/h13-15,19H,5-12H2,1-4H3
InChIKeyHMIIBXVLVMPZQI-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.06
Rot. Bonds4

About [1-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-methylcyclohexyl]methanol

[1-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-methylcyclohexyl]methanol (PubChem CID 81470151) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [1-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-methylcyclohexyl]methanol
PubChem CID81470151
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[1-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(CN2CC(C)C(N(C)C)C2)CC1
InChIInChI=1S/C16H32N2O/c1-13-5-7-16(12-19,8-6-13)11-18-9-14(2)15(10-18)17(3)4/h13-15,19H,5-12H2,1-4H3
InChIKeyHMIIBXVLVMPZQI-UHFFFAOYSA-N
XLogP2.06
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-methylcyclohexyl]methanol?
The IUPAC name of [1-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-methylcyclohexyl]methanol (CID 81470151) is [1-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-methylcyclohexyl]methanol is CC1CCC(CO)(CN2CC(C)C(N(C)C)C2)CC1.
What is the InChIKey of [1-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-methylcyclohexyl]methanol?
The InChIKey is HMIIBXVLVMPZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13-5-7-16(12-19,8-6-13)11-18-9-14(2)15(10-18)17(3)4/h13-15,19H,5-12H2,1-4H3.
What are the key properties of [1-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-methylcyclohexyl]methanol?
[1-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-methylcyclohexyl]methanol has a molecular weight of 268.44 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-methylcyclohexyl]methanol is sourced from PubChem (CID 81470151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).