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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Related Compounds

(2R,3S)-5-amino-3-(dimethylamino)pentan-2-ol
CID 129044459
3-(dimethylamino)decan-2-ol
CID 87744632
3-(dimethylamino)propane-1,1-diol;hydrochloride
CID 173336782
1-[4-(dimethylamino)butan-2-yl-methylamino]ethanol
CID 143803190
1-N,1-N,1-N',1-N',3-N,3-N-hexamethylpropane-1,1,3-triamine
CID 87406982
1-N,1-N,5-N,5-N,6-pentamethylheptane-1,5-diamine
CID 170658406
4-(dimethylamino)-1-methoxybutan-2-ol
CID 115345876
ethane;3-methoxy-N,N-dimethylbutan-1-amine
CID 144600046
3-[2-(dimethylamino)ethyl-methylamino]butan-2-ol
CID 63698741
N,N-dimethyl-3-phosphanyloxybutan-1-amine
CID 89417528
propane;N,N,3-trimethylbutan-1-amine
CID 144828505
3-fluoro-N,N-dimethylbutan-1-amine
CID 142449569

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).