(2R,3S)-3-(dimethylamino)-1-(methylamino)butan-2-ol

C7H18N2O — CID 54087327

IUPAC(2R,3S)-3-(dimethylamino)-1-(methylamino)butan-2-ol
SMILESCNC[C@@H](O)[C@H](C)N(C)C
InChIInChI=1S/C7H18N2O/c1-6(9(3)4)7(10)5-8-2/h6-8,10H,5H2,1-4H3/t6-,7+/m0/s1
InChIKeyMRJZUICQJIWTSS-NKWVEPMBSA-N
MW146.23 g/mol
LogP-0.48
Rot. Bonds4

About (2R,3S)-3-(dimethylamino)-1-(methylamino)butan-2-ol

(2R,3S)-3-(dimethylamino)-1-(methylamino)butan-2-ol (PubChem CID 54087327) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is (2R,3S)-3-(dimethylamino)-1-(methylamino)butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-(dimethylamino)-1-(methylamino)butan-2-ol
PubChem CID54087327
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name(2R,3S)-3-(dimethylamino)-1-(methylamino)butan-2-ol
SMILESCNC[C@@H](O)[C@H](C)N(C)C
InChIInChI=1S/C7H18N2O/c1-6(9(3)4)7(10)5-8-2/h6-8,10H,5H2,1-4H3/t6-,7+/m0/s1
InChIKeyMRJZUICQJIWTSS-NKWVEPMBSA-N
XLogP-0.48
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Amino-3-(diethylamino)propan-2-ol
CID 97749
1,3-Bis((1-methylethyl)amino)propan-2-ol
CID 273840
1-Amino-3-(4-aminobutylamino)propan-2-ol
CID 101196139
[3-(Dimethylamino)-2-hydroxypropyl](methyl)amine
CID 12700841
1-(Methylamino)butan-2-ol
CID 13432441
1-Amino-3-(methylamino)propan-2-ol
CID 13842461
1-Amino-3-(dimethylamino)propan-2-ol
CID 16793685
(2S)-1-amino-3-(dimethylamino)propan-2-ol
CID 28108383
rac-(2R,3R)-3-(methylamino)butan-2-ol
CID 55287168
2-[[2-Hydroxy-3-[1-(hydroxymethyl)propylamino]propyl]amino]butan-1-ol
CID 469941
2-(Butylamino)-1-propanol
CID 174510
1-(Butan-2-ylamino)propan-2-ol
CID 276931

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(dimethylamino)-1-(methylamino)butan-2-ol?
The IUPAC name of (2R,3S)-3-(dimethylamino)-1-(methylamino)butan-2-ol (CID 54087327) is (2R,3S)-3-(dimethylamino)-1-(methylamino)butan-2-ol.
What is the SMILES notation for (2R,3S)-3-(dimethylamino)-1-(methylamino)butan-2-ol?
The canonical SMILES for (2R,3S)-3-(dimethylamino)-1-(methylamino)butan-2-ol is CNC[C@@H](O)[C@H](C)N(C)C.
What is the InChIKey of (2R,3S)-3-(dimethylamino)-1-(methylamino)butan-2-ol?
The InChIKey is MRJZUICQJIWTSS-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H18N2O/c1-6(9(3)4)7(10)5-8-2/h6-8,10H,5H2,1-4H3/t6-,7+/m0/s1.
What are the key properties of (2R,3S)-3-(dimethylamino)-1-(methylamino)butan-2-ol?
(2R,3S)-3-(dimethylamino)-1-(methylamino)butan-2-ol has a molecular weight of 146.23 g/mol, XLogP of -0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(dimethylamino)-1-(methylamino)butan-2-ol is sourced from PubChem (CID 54087327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).