2-(dimethylamino)-1-(methylamino)pentan-2-ol

C8H20N2O — CID 174871544

IUPAC2-(dimethylamino)-1-(methylamino)pentan-2-ol
SMILESCCCC(O)(CNC)N(C)C
InChIInChI=1S/C8H20N2O/c1-5-6-8(11,7-9-2)10(3)4/h9,11H,5-7H2,1-4H3
InChIKeyCTBJQFQIAWCESR-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.26
Rot. Bonds5

About 2-(dimethylamino)-1-(methylamino)pentan-2-ol

2-(dimethylamino)-1-(methylamino)pentan-2-ol (PubChem CID 174871544) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(methylamino)pentan-2-ol.

Molecular Properties

Compound Name2-(dimethylamino)-1-(methylamino)pentan-2-ol
PubChem CID174871544
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name2-(dimethylamino)-1-(methylamino)pentan-2-ol
SMILESCCCC(O)(CNC)N(C)C
InChIInChI=1S/C8H20N2O/c1-5-6-8(11,7-9-2)10(3)4/h9,11H,5-7H2,1-4H3
InChIKeyCTBJQFQIAWCESR-UHFFFAOYSA-N
XLogP0.26
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(methylamino)pentan-2-ol?
The IUPAC name of 2-(dimethylamino)-1-(methylamino)pentan-2-ol (CID 174871544) is 2-(dimethylamino)-1-(methylamino)pentan-2-ol.
What is the SMILES notation for 2-(dimethylamino)-1-(methylamino)pentan-2-ol?
The canonical SMILES for 2-(dimethylamino)-1-(methylamino)pentan-2-ol is CCCC(O)(CNC)N(C)C.
What is the InChIKey of 2-(dimethylamino)-1-(methylamino)pentan-2-ol?
The InChIKey is CTBJQFQIAWCESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-5-6-8(11,7-9-2)10(3)4/h9,11H,5-7H2,1-4H3.
What are the key properties of 2-(dimethylamino)-1-(methylamino)pentan-2-ol?
2-(dimethylamino)-1-(methylamino)pentan-2-ol has a molecular weight of 160.26 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(methylamino)pentan-2-ol is sourced from PubChem (CID 174871544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).