(2R,3S)-5-amino-3-(dimethylamino)pentan-2-ol

C7H18N2O — CID 129044459

IUPAC(2R,3S)-5-amino-3-(dimethylamino)pentan-2-ol
SMILESC[C@@H](O)[C@H](CCN)N(C)C
InChIInChI=1S/C7H18N2O/c1-6(10)7(4-5-8)9(2)3/h6-7,10H,4-5,8H2,1-3H3/t6-,7+/m1/s1
InChIKeyRABDTBLITAMWBQ-RQJHMYQMSA-N
MW146.23 g/mol
LogP-0.35
Rot. Bonds4

About (2R,3S)-5-amino-3-(dimethylamino)pentan-2-ol

(2R,3S)-5-amino-3-(dimethylamino)pentan-2-ol (PubChem CID 129044459) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is (2R,3S)-5-amino-3-(dimethylamino)pentan-2-ol.

Molecular Properties

Compound Name(2R,3S)-5-amino-3-(dimethylamino)pentan-2-ol
PubChem CID129044459
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name(2R,3S)-5-amino-3-(dimethylamino)pentan-2-ol
SMILESC[C@@H](O)[C@H](CCN)N(C)C
InChIInChI=1S/C7H18N2O/c1-6(10)7(4-5-8)9(2)3/h6-7,10H,4-5,8H2,1-3H3/t6-,7+/m1/s1
InChIKeyRABDTBLITAMWBQ-RQJHMYQMSA-N
XLogP-0.35
TPSA49.49 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 ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N,3-N,4-N,4-N-tetramethylhexane-1,3,4,6-tetramine
CID 57125116
3,5-bis(dimethylamino)pentan-2-ol
CID 57282569
3-(dimethylamino)decan-2-ol
CID 87744632
3-N,3-N-dihydroxy-4-methylpentane-1,3-diamine
CID 139889741
3-(dimethylamino)-4-hydroxypentanoic acid
CID 151302792
3-N,3-N-dimethylhenicosane-1,3,4-triamine
CID 87930078
1-N-ethyl-3-N,3-N-dimethyl-2-(2-methylpropyl)pentane-1,3,5-triamine
CID 142292520
(2S)-4-amino-2-hydroxy-N,N-dimethylbutanamide
CID 87476132
4-amino-1-(dimethylamino)butan-2-ol;hydrochloride
CID 83967321
1-(dimethylamino)propan-2-ol;ethane-1,2-diamine
CID 174810904
2-N,2-N-dimethylbutane-1,2,4-triamine
CID 18471403
3-[methyl(propan-2-yl)amino]hexan-2-ol
CID 89003622

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-5-amino-3-(dimethylamino)pentan-2-ol?
The IUPAC name of (2R,3S)-5-amino-3-(dimethylamino)pentan-2-ol (CID 129044459) is (2R,3S)-5-amino-3-(dimethylamino)pentan-2-ol.
What is the SMILES notation for (2R,3S)-5-amino-3-(dimethylamino)pentan-2-ol?
The canonical SMILES for (2R,3S)-5-amino-3-(dimethylamino)pentan-2-ol is C[C@@H](O)[C@H](CCN)N(C)C.
What is the InChIKey of (2R,3S)-5-amino-3-(dimethylamino)pentan-2-ol?
The InChIKey is RABDTBLITAMWBQ-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H18N2O/c1-6(10)7(4-5-8)9(2)3/h6-7,10H,4-5,8H2,1-3H3/t6-,7+/m1/s1.
What are the key properties of (2R,3S)-5-amino-3-(dimethylamino)pentan-2-ol?
(2R,3S)-5-amino-3-(dimethylamino)pentan-2-ol has a molecular weight of 146.23 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-5-amino-3-(dimethylamino)pentan-2-ol is sourced from PubChem (CID 129044459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).