2,5-dimethyl-2-pyrrolidin-1-ylhexan-3-ol

C12H25NO — CID 79056027

IUPAC2,5-dimethyl-2-pyrrolidin-1-ylhexan-3-ol
SMILESCC(C)CC(O)C(C)(C)N1CCCC1
InChIInChI=1S/C12H25NO/c1-10(2)9-11(14)12(3,4)13-7-5-6-8-13/h10-11,14H,5-9H2,1-4H3
InChIKeyZEQAXECBHMVFGV-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds4

About 2,5-dimethyl-2-pyrrolidin-1-ylhexan-3-ol

2,5-dimethyl-2-pyrrolidin-1-ylhexan-3-ol (PubChem CID 79056027) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2,5-dimethyl-2-pyrrolidin-1-ylhexan-3-ol.

Molecular Properties

Compound Name2,5-dimethyl-2-pyrrolidin-1-ylhexan-3-ol
PubChem CID79056027
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2,5-dimethyl-2-pyrrolidin-1-ylhexan-3-ol
SMILESCC(C)CC(O)C(C)(C)N1CCCC1
InChIInChI=1S/C12H25NO/c1-10(2)9-11(14)12(3,4)13-7-5-6-8-13/h10-11,14H,5-9H2,1-4H3
InChIKeyZEQAXECBHMVFGV-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 2,5-dimethyl-2-pyrrolidin-1-ylhexan-3-ol?
The IUPAC name of 2,5-dimethyl-2-pyrrolidin-1-ylhexan-3-ol (CID 79056027) is 2,5-dimethyl-2-pyrrolidin-1-ylhexan-3-ol.
What is the SMILES notation for 2,5-dimethyl-2-pyrrolidin-1-ylhexan-3-ol?
The canonical SMILES for 2,5-dimethyl-2-pyrrolidin-1-ylhexan-3-ol is CC(C)CC(O)C(C)(C)N1CCCC1.
What is the InChIKey of 2,5-dimethyl-2-pyrrolidin-1-ylhexan-3-ol?
The InChIKey is ZEQAXECBHMVFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)9-11(14)12(3,4)13-7-5-6-8-13/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 2,5-dimethyl-2-pyrrolidin-1-ylhexan-3-ol?
2,5-dimethyl-2-pyrrolidin-1-ylhexan-3-ol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-pyrrolidin-1-ylhexan-3-ol is sourced from PubChem (CID 79056027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).