1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylpropan-1-ol

C15H29NO — CID 82932578

IUPAC1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
SMILESCC(C)(C(O)C1CCCCCC1)N1CCCC1
InChIInChI=1S/C15H29NO/c1-15(2,16-11-7-8-12-16)14(17)13-9-5-3-4-6-10-13/h13-14,17H,3-12H2,1-2H3
InChIKeyQLVUCIMFMIAQOS-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.19
Rot. Bonds3

About 1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylpropan-1-ol

1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylpropan-1-ol (PubChem CID 82932578) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
PubChem CID82932578
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
SMILESCC(C)(C(O)C1CCCCCC1)N1CCCC1
InChIInChI=1S/C15H29NO/c1-15(2,16-11-7-8-12-16)14(17)13-9-5-3-4-6-10-13/h13-14,17H,3-12H2,1-2H3
InChIKeyQLVUCIMFMIAQOS-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 79052130
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CID 79045834
1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 82931304
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CID 82932107
1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 79044925
1-cyclopentyl-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79056224
2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 79920933
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 79921120
1-cyclohexyl-2-(dimethylamino)-2-methylpropan-1-ol
CID 79046048
[2-(azepan-1-yl)-1-cyclobutyl-2-methylpropyl]hydrazine
CID 105240404
1-cyclohexyl-2-methyl-2-morpholin-4-ylbutan-1-ol
CID 79065772
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CID 79065730

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylpropan-1-ol (CID 82932578) is 1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylpropan-1-ol is CC(C)(C(O)C1CCCCCC1)N1CCCC1.
What is the InChIKey of 1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is QLVUCIMFMIAQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-15(2,16-11-7-8-12-16)14(17)13-9-5-3-4-6-10-13/h13-14,17H,3-12H2,1-2H3.
What are the key properties of 1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylpropan-1-ol?
1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 82932578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).