5-[(dimethylamino)methyl]-1-(2-methylpentyl)pyrrolidin-3-ol

C13H28N2O — CID 66051476

IUPAC5-[(dimethylamino)methyl]-1-(2-methylpentyl)pyrrolidin-3-ol
SMILESCCCC(C)CN1CC(O)CC1CN(C)C
InChIInChI=1S/C13H28N2O/c1-5-6-11(2)8-15-10-13(16)7-12(15)9-14(3)4/h11-13,16H,5-10H2,1-4H3
InChIKeyJELPTTXRNRQDCC-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.42
Rot. Bonds6

About 5-[(dimethylamino)methyl]-1-(2-methylpentyl)pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-(2-methylpentyl)pyrrolidin-3-ol (PubChem CID 66051476) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-(2-methylpentyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-(2-methylpentyl)pyrrolidin-3-ol
PubChem CID66051476
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name5-[(dimethylamino)methyl]-1-(2-methylpentyl)pyrrolidin-3-ol
SMILESCCCC(C)CN1CC(O)CC1CN(C)C
InChIInChI=1S/C13H28N2O/c1-5-6-11(2)8-15-10-13(16)7-12(15)9-14(3)4/h11-13,16H,5-10H2,1-4H3
InChIKeyJELPTTXRNRQDCC-UHFFFAOYSA-N
XLogP1.42
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(dimethylamino)methyl]-1-(2-methylpentyl)pyrrolidin-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-(2-methylpentyl)pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-(2-methylpentyl)pyrrolidin-3-ol (CID 66051476) is 5-[(dimethylamino)methyl]-1-(2-methylpentyl)pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-(2-methylpentyl)pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-(2-methylpentyl)pyrrolidin-3-ol is CCCC(C)CN1CC(O)CC1CN(C)C.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-(2-methylpentyl)pyrrolidin-3-ol?
The InChIKey is JELPTTXRNRQDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-6-11(2)8-15-10-13(16)7-12(15)9-14(3)4/h11-13,16H,5-10H2,1-4H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-(2-methylpentyl)pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-(2-methylpentyl)pyrrolidin-3-ol has a molecular weight of 228.38 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-(2-methylpentyl)pyrrolidin-3-ol is sourced from PubChem (CID 66051476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).