1-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutan-2-ol

C11H27N3O — CID 64818709

IUPAC1-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutan-2-ol
SMILESCN(C)CCCN(C)CCC(C)(O)CN
InChIInChI=1S/C11H27N3O/c1-11(15,10-12)6-9-14(4)8-5-7-13(2)3/h15H,5-10,12H2,1-4H3
InChIKeySTVOTYYEEIIYIO-UHFFFAOYSA-N
MW217.36 g/mol
LogP-0.03
Rot. Bonds8

About 1-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutan-2-ol

1-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutan-2-ol (PubChem CID 64818709) has the molecular formula C11H27N3O and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutan-2-ol
PubChem CID64818709
Molecular FormulaC11H27N3O
Molecular Weight217.36 g/mol
Exact Mass217.22
IUPAC Name1-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutan-2-ol
SMILESCN(C)CCCN(C)CCC(C)(O)CN
InChIInChI=1S/C11H27N3O/c1-11(15,10-12)6-9-14(4)8-5-7-13(2)3/h15H,5-10,12H2,1-4H3
InChIKeySTVOTYYEEIIYIO-UHFFFAOYSA-N
XLogP-0.03
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutan-2-ol?
The IUPAC name of 1-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutan-2-ol (CID 64818709) is 1-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutan-2-ol?
The canonical SMILES for 1-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutan-2-ol is CN(C)CCCN(C)CCC(C)(O)CN.
What is the InChIKey of 1-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutan-2-ol?
The InChIKey is STVOTYYEEIIYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O/c1-11(15,10-12)6-9-14(4)8-5-7-13(2)3/h15H,5-10,12H2,1-4H3.
What are the key properties of 1-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutan-2-ol?
1-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutan-2-ol has a molecular weight of 217.36 g/mol, XLogP of -0.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 64818709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).