2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol

C17H34N2O — CID 81468984

IUPAC2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CN2CC(C)C(N(C)C)C2)C1
InChIInChI=1S/C17H34N2O/c1-12(2)14-6-7-17(20)15(8-14)10-19-9-13(3)16(11-19)18(4)5/h12-17,20H,6-11H2,1-5H3
InChIKeyQPRNCXGOCNXPEL-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.30
Rot. Bonds4

About 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol

2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 81468984) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol
PubChem CID81468984
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CN2CC(C)C(N(C)C)C2)C1
InChIInChI=1S/C17H34N2O/c1-12(2)14-6-7-17(20)15(8-14)10-19-9-13(3)16(11-19)18(4)5/h12-17,20H,6-11H2,1-5H3
InChIKeyQPRNCXGOCNXPEL-UHFFFAOYSA-N
XLogP2.30
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol (CID 81468984) is 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)C(CN2CC(C)C(N(C)C)C2)C1.
What is the InChIKey of 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is QPRNCXGOCNXPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-12(2)14-6-7-17(20)15(8-14)10-19-9-13(3)16(11-19)18(4)5/h12-17,20H,6-11H2,1-5H3.
What are the key properties of 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol?
2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 282.47 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 81468984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).