4-[3-(dimethylamino)propyl-methylamino]-3,3-dimethylbutan-2-ol

C12H28N2O — CID 66453701

IUPAC4-[3-(dimethylamino)propyl-methylamino]-3,3-dimethylbutan-2-ol
SMILESCC(O)C(C)(C)CN(C)CCCN(C)C
InChIInChI=1S/C12H28N2O/c1-11(15)12(2,3)10-14(6)9-7-8-13(4)5/h11,15H,7-10H2,1-6H3
InChIKeyXIJILAAFYRMNHU-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.28
Rot. Bonds7

About 4-[3-(dimethylamino)propyl-methylamino]-3,3-dimethylbutan-2-ol

4-[3-(dimethylamino)propyl-methylamino]-3,3-dimethylbutan-2-ol (PubChem CID 66453701) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl-methylamino]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl-methylamino]-3,3-dimethylbutan-2-ol
PubChem CID66453701
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name4-[3-(dimethylamino)propyl-methylamino]-3,3-dimethylbutan-2-ol
SMILESCC(O)C(C)(C)CN(C)CCCN(C)C
InChIInChI=1S/C12H28N2O/c1-11(15)12(2,3)10-14(6)9-7-8-13(4)5/h11,15H,7-10H2,1-6H3
InChIKeyXIJILAAFYRMNHU-UHFFFAOYSA-N
XLogP1.28
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl-methylamino]-3,3-dimethylbutan-2-ol?
The IUPAC name of 4-[3-(dimethylamino)propyl-methylamino]-3,3-dimethylbutan-2-ol (CID 66453701) is 4-[3-(dimethylamino)propyl-methylamino]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 4-[3-(dimethylamino)propyl-methylamino]-3,3-dimethylbutan-2-ol?
The canonical SMILES for 4-[3-(dimethylamino)propyl-methylamino]-3,3-dimethylbutan-2-ol is CC(O)C(C)(C)CN(C)CCCN(C)C.
What is the InChIKey of 4-[3-(dimethylamino)propyl-methylamino]-3,3-dimethylbutan-2-ol?
The InChIKey is XIJILAAFYRMNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-11(15)12(2,3)10-14(6)9-7-8-13(4)5/h11,15H,7-10H2,1-6H3.
What are the key properties of 4-[3-(dimethylamino)propyl-methylamino]-3,3-dimethylbutan-2-ol?
4-[3-(dimethylamino)propyl-methylamino]-3,3-dimethylbutan-2-ol has a molecular weight of 216.37 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl-methylamino]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 66453701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).