[1-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexyl]methanol

C15H29NO — CID 113418908

IUPAC[1-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexyl]methanol
SMILESCC(C)C1CCN(CC2(CO)CCCCC2)C1
InChIInChI=1S/C15H29NO/c1-13(2)14-6-9-16(10-14)11-15(12-17)7-4-3-5-8-15/h13-14,17H,3-12H2,1-2H3
InChIKeyBPFLRGVYUDHVTH-UHFFFAOYSA-N
MW239.40 g/mol
LogP2.91
Rot. Bonds4

About [1-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexyl]methanol

[1-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexyl]methanol (PubChem CID 113418908) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is [1-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexyl]methanol
PubChem CID113418908
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name[1-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexyl]methanol
SMILESCC(C)C1CCN(CC2(CO)CCCCC2)C1
InChIInChI=1S/C15H29NO/c1-13(2)14-6-9-16(10-14)11-15(12-17)7-4-3-5-8-15/h13-14,17H,3-12H2,1-2H3
InChIKeyBPFLRGVYUDHVTH-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexyl]methanol (CID 113418908) is [1-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexyl]methanol is CC(C)C1CCN(CC2(CO)CCCCC2)C1.
What is the InChIKey of [1-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexyl]methanol?
The InChIKey is BPFLRGVYUDHVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-13(2)14-6-9-16(10-14)11-15(12-17)7-4-3-5-8-15/h13-14,17H,3-12H2,1-2H3.
What are the key properties of [1-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexyl]methanol?
[1-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexyl]methanol has a molecular weight of 239.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexyl]methanol is sourced from PubChem (CID 113418908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).