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

C15H29NO — CID 62703990

IUPAC2-[(3-methylpyrrolidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCC1CCN(CC2CC(C(C)C)CCC2O)C1
InChIInChI=1S/C15H29NO/c1-11(2)13-4-5-15(17)14(8-13)10-16-7-6-12(3)9-16/h11-15,17H,4-10H2,1-3H3
InChIKeyKBXUTKDVIOTXFK-UHFFFAOYSA-N
MW239.40 g/mol
LogP2.76
Rot. Bonds3

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

2-[(3-methylpyrrolidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 62703990) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-[(3-methylpyrrolidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3-methylpyrrolidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-ol
PubChem CID62703990
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-[(3-methylpyrrolidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCC1CCN(CC2CC(C(C)C)CCC2O)C1
InChIInChI=1S/C15H29NO/c1-11(2)13-4-5-15(17)14(8-13)10-16-7-6-12(3)9-16/h11-15,17H,4-10H2,1-3H3
InChIKeyKBXUTKDVIOTXFK-UHFFFAOYSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62707955
2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 81468984
1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-3-ol
CID 62943988
2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 62707731
2-ethyl-4-propan-2-ylcyclohexan-1-ol
CID 58534339
8-[(2-hydroxy-5-propan-2-ylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63769113
2-[(2,5-dimethylmorpholin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62707954
2-(2-hydroxypropyl)-4-propan-2-ylcyclohexan-1-ol
CID 79423024
2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-ol
CID 83161089
2-(2-fluoroethyl)-4-propan-2-ylcyclohexan-1-ol
CID 80694968
[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]methanol
CID 55105780
2-[[bis(2-hydroxyethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 55105830

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpyrrolidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-[(3-methylpyrrolidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-ol (CID 62703990) is 2-[(3-methylpyrrolidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[(3-methylpyrrolidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-[(3-methylpyrrolidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-ol is CC1CCN(CC2CC(C(C)C)CCC2O)C1.
What is the InChIKey of 2-[(3-methylpyrrolidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is KBXUTKDVIOTXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-11(2)13-4-5-15(17)14(8-13)10-16-7-6-12(3)9-16/h11-15,17H,4-10H2,1-3H3.
What are the key properties of 2-[(3-methylpyrrolidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-ol?
2-[(3-methylpyrrolidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpyrrolidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 62703990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).