3,5-bis(dimethylamino)pentan-2-ol

C9H22N2O — CID 57282569

IUPAC3,5-bis(dimethylamino)pentan-2-ol
SMILESCC(O)C(CCN(C)C)N(C)C
InChIInChI=1S/C9H22N2O/c1-8(12)9(11(4)5)6-7-10(2)3/h8-9,12H,6-7H2,1-5H3
InChIKeyBQEODJWDCFMSGN-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.25
Rot. Bonds5

About 3,5-bis(dimethylamino)pentan-2-ol

3,5-bis(dimethylamino)pentan-2-ol (PubChem CID 57282569) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 3,5-bis(dimethylamino)pentan-2-ol.

Molecular Properties

Compound Name3,5-bis(dimethylamino)pentan-2-ol
PubChem CID57282569
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name3,5-bis(dimethylamino)pentan-2-ol
SMILESCC(O)C(CCN(C)C)N(C)C
InChIInChI=1S/C9H22N2O/c1-8(12)9(11(4)5)6-7-10(2)3/h8-9,12H,6-7H2,1-5H3
InChIKeyBQEODJWDCFMSGN-UHFFFAOYSA-N
XLogP0.25
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(dimethylamino)pentan-2-ol?
The IUPAC name of 3,5-bis(dimethylamino)pentan-2-ol (CID 57282569) is 3,5-bis(dimethylamino)pentan-2-ol.
What is the SMILES notation for 3,5-bis(dimethylamino)pentan-2-ol?
The canonical SMILES for 3,5-bis(dimethylamino)pentan-2-ol is CC(O)C(CCN(C)C)N(C)C.
What is the InChIKey of 3,5-bis(dimethylamino)pentan-2-ol?
The InChIKey is BQEODJWDCFMSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-8(12)9(11(4)5)6-7-10(2)3/h8-9,12H,6-7H2,1-5H3.
What are the key properties of 3,5-bis(dimethylamino)pentan-2-ol?
3,5-bis(dimethylamino)pentan-2-ol has a molecular weight of 174.29 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(dimethylamino)pentan-2-ol is sourced from PubChem (CID 57282569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).