1-[3-(dimethylamino)propyl-methylamino]-4,4-dimethylpentan-3-ol

C13H30N2O — CID 63700199

IUPAC1-[3-(dimethylamino)propyl-methylamino]-4,4-dimethylpentan-3-ol
SMILESCN(C)CCCN(C)CCC(O)C(C)(C)C
InChIInChI=1S/C13H30N2O/c1-13(2,3)12(16)8-11-15(6)10-7-9-14(4)5/h12,16H,7-11H2,1-6H3
InChIKeyZGYFRWDVNHBPLM-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.67
Rot. Bonds7

About 1-[3-(dimethylamino)propyl-methylamino]-4,4-dimethylpentan-3-ol

1-[3-(dimethylamino)propyl-methylamino]-4,4-dimethylpentan-3-ol (PubChem CID 63700199) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl-methylamino]-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl-methylamino]-4,4-dimethylpentan-3-ol
PubChem CID63700199
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name1-[3-(dimethylamino)propyl-methylamino]-4,4-dimethylpentan-3-ol
SMILESCN(C)CCCN(C)CCC(O)C(C)(C)C
InChIInChI=1S/C13H30N2O/c1-13(2,3)12(16)8-11-15(6)10-7-9-14(4)5/h12,16H,7-11H2,1-6H3
InChIKeyZGYFRWDVNHBPLM-UHFFFAOYSA-N
XLogP1.67
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(dimethylamino)propyl-methylamino]-4,4-dimethylpentan-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 1-[3-(dimethylamino)propyl-methylamino]-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-[3-(dimethylamino)propyl-methylamino]-4,4-dimethylpentan-3-ol (CID 63700199) is 1-[3-(dimethylamino)propyl-methylamino]-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-[3-(dimethylamino)propyl-methylamino]-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-[3-(dimethylamino)propyl-methylamino]-4,4-dimethylpentan-3-ol is CN(C)CCCN(C)CCC(O)C(C)(C)C.
What is the InChIKey of 1-[3-(dimethylamino)propyl-methylamino]-4,4-dimethylpentan-3-ol?
The InChIKey is ZGYFRWDVNHBPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-13(2,3)12(16)8-11-15(6)10-7-9-14(4)5/h12,16H,7-11H2,1-6H3.
What are the key properties of 1-[3-(dimethylamino)propyl-methylamino]-4,4-dimethylpentan-3-ol?
1-[3-(dimethylamino)propyl-methylamino]-4,4-dimethylpentan-3-ol has a molecular weight of 230.40 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl-methylamino]-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 63700199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).