2-[(2-methylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-ol

C15H29NO — CID 62610219

IUPAC2-[(2-methylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN2CCCC2C)C1
InChIInChI=1S/C15H29NO/c1-3-5-13-7-8-15(17)14(10-13)11-16-9-4-6-12(16)2/h12-15,17H,3-11H2,1-2H3
InChIKeyVLMDWOBCVHAZCR-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.05
Rot. Bonds4

About 2-[(2-methylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-ol

2-[(2-methylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-ol (PubChem CID 62610219) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-[(2-methylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2-methylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-ol
PubChem CID62610219
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-[(2-methylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN2CCCC2C)C1
InChIInChI=1S/C15H29NO/c1-3-5-13-7-8-15(17)14(10-13)11-16-9-4-6-12(16)2/h12-15,17H,3-11H2,1-2H3
InChIKeyVLMDWOBCVHAZCR-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-ol
CID 62610048
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-4-propylcyclohexan-1-ol
CID 65324367
4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
CID 62611262
4-tert-butyl-2-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-ol
CID 55094860
2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-ol
CID 62610564
2-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-propylcyclohexan-1-ol
CID 63002763
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol
CID 79310538
4-ethyl-2-[(4-propylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 62611300
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-4-propylcyclohexan-1-ol
CID 63169050
N-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-amine
CID 63482113
2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-4-propylcyclohexan-1-ol
CID 62609589
2-(3-hydroxypropyl)-4-propylcyclohexan-1-ol
CID 79422814

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 2-[(2-methylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-ol (CID 62610219) is 2-[(2-methylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-[(2-methylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-[(2-methylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(CN2CCCC2C)C1.
What is the InChIKey of 2-[(2-methylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-ol?
The InChIKey is VLMDWOBCVHAZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-5-13-7-8-15(17)14(10-13)11-16-9-4-6-12(16)2/h12-15,17H,3-11H2,1-2H3.
What are the key properties of 2-[(2-methylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-ol?
2-[(2-methylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 62610219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).