1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylbutan-1-ol

C16H31NO — CID 82931304

IUPAC1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
SMILESCCC(C)(C(O)C1CCCCCC1)N1CCCC1
InChIInChI=1S/C16H31NO/c1-3-16(2,17-12-8-9-13-17)15(18)14-10-6-4-5-7-11-14/h14-15,18H,3-13H2,1-2H3
InChIKeyKYGJYWFVQJMEPD-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.58
Rot. Bonds4

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

1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylbutan-1-ol (PubChem CID 82931304) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
PubChem CID82931304
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
SMILESCCC(C)(C(O)C1CCCCCC1)N1CCCC1
InChIInChI=1S/C16H31NO/c1-3-16(2,17-12-8-9-13-17)15(18)14-10-6-4-5-7-11-14/h14-15,18H,3-13H2,1-2H3
InChIKeyKYGJYWFVQJMEPD-UHFFFAOYSA-N
XLogP3.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-(oxan-4-yl)-2-piperidin-1-ylbutan-1-ol
CID 79065730
1-cyclohexyl-2-methyl-2-morpholin-4-ylbutan-1-ol
CID 79065772
2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-ol
CID 79064908
1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
CID 82932578
1-cyclobutyl-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79065510
(1-cyclopentyl-2-methyl-2-pyrrolidin-1-ylbutyl)hydrazine
CID 105241054
1-(4-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylbutan-1-ol
CID 79065767
2-(azepan-1-yl)-1-cyclopropyl-2-methylpropan-1-ol
CID 79052130
1-cyclopropyl-3-methyl-3-piperidin-1-ylpentan-2-amine
CID 79064843
(1-cyclohexyl-3-methyl-3-piperidin-1-ylpentan-2-yl)hydrazine
CID 105241297
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79910779
2-methyl-2-piperidin-1-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol
CID 114622678

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylbutan-1-ol?
The IUPAC name of 1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylbutan-1-ol (CID 82931304) is 1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylbutan-1-ol.
What is the SMILES notation for 1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylbutan-1-ol?
The canonical SMILES for 1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylbutan-1-ol is CCC(C)(C(O)C1CCCCCC1)N1CCCC1.
What is the InChIKey of 1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylbutan-1-ol?
The InChIKey is KYGJYWFVQJMEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-3-16(2,17-12-8-9-13-17)15(18)14-10-6-4-5-7-11-14/h14-15,18H,3-13H2,1-2H3.
What are the key properties of 1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylbutan-1-ol?
1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylbutan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.58, 4 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-ylbutan-1-ol is sourced from PubChem (CID 82931304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).