6-methyl-2-pyrrolidin-1-ylheptan-1-ol

C12H25NO — CID 14460623

IUPAC6-methyl-2-pyrrolidin-1-ylheptan-1-ol
SMILESCC(C)CCCC(CO)N1CCCC1
InChIInChI=1S/C12H25NO/c1-11(2)6-5-7-12(10-14)13-8-3-4-9-13/h11-12,14H,3-10H2,1-2H3
InChIKeyOCUOEYYMRQEINE-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds6

About 6-methyl-2-pyrrolidin-1-ylheptan-1-ol

6-methyl-2-pyrrolidin-1-ylheptan-1-ol (PubChem CID 14460623) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 6-methyl-2-pyrrolidin-1-ylheptan-1-ol.

Molecular Properties

Compound Name6-methyl-2-pyrrolidin-1-ylheptan-1-ol
PubChem CID14460623
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name6-methyl-2-pyrrolidin-1-ylheptan-1-ol
SMILESCC(C)CCCC(CO)N1CCCC1
InChIInChI=1S/C12H25NO/c1-11(2)6-5-7-12(10-14)13-8-3-4-9-13/h11-12,14H,3-10H2,1-2H3
InChIKeyOCUOEYYMRQEINE-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pyrrolidin-1-ylheptan-1-ol?
The IUPAC name of 6-methyl-2-pyrrolidin-1-ylheptan-1-ol (CID 14460623) is 6-methyl-2-pyrrolidin-1-ylheptan-1-ol.
What is the SMILES notation for 6-methyl-2-pyrrolidin-1-ylheptan-1-ol?
The canonical SMILES for 6-methyl-2-pyrrolidin-1-ylheptan-1-ol is CC(C)CCCC(CO)N1CCCC1.
What is the InChIKey of 6-methyl-2-pyrrolidin-1-ylheptan-1-ol?
The InChIKey is OCUOEYYMRQEINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(2)6-5-7-12(10-14)13-8-3-4-9-13/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 6-methyl-2-pyrrolidin-1-ylheptan-1-ol?
6-methyl-2-pyrrolidin-1-ylheptan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pyrrolidin-1-ylheptan-1-ol is sourced from PubChem (CID 14460623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).