(2S)-3-methyl-2-(propylamino)butan-1-ol

C8H19NO — CID 79254888

IUPAC(2S)-3-methyl-2-(propylamino)butan-1-ol
SMILESCCCN[C@H](CO)C(C)C
InChIInChI=1S/C8H19NO/c1-4-5-9-8(6-10)7(2)3/h7-10H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyXLRZKALSZKHQJA-MRVPVSSYSA-N
MW145.25 g/mol
LogP1.00
Rot. Bonds5

About (2S)-3-methyl-2-(propylamino)butan-1-ol

(2S)-3-methyl-2-(propylamino)butan-1-ol (PubChem CID 79254888) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is (2S)-3-methyl-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-(propylamino)butan-1-ol
PubChem CID79254888
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name(2S)-3-methyl-2-(propylamino)butan-1-ol
SMILESCCCN[C@H](CO)C(C)C
InChIInChI=1S/C8H19NO/c1-4-5-9-8(6-10)7(2)3/h7-10H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyXLRZKALSZKHQJA-MRVPVSSYSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-methyl-2-(octylamino)butan-1-ol
CID 79248963
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide
CID 79250505
(2S)-2-[2-(butylamino)ethylamino]-3-methylbutan-1-ol
CID 165355432
3-methyl-2-(2-propylsulfonylethylamino)butan-1-ol
CID 106723970
(2S)-2-(2-ethoxyethylamino)-3-methylbutan-1-ol
CID 79250143
(2S)-3-methyl-2-(2-methylpentylamino)butan-1-ol
CID 79253780
(2S)-2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutan-1-ol
CID 79355054
1-N,1-N,3-trimethyl-2-N-propylbutane-1,2-diamine
CID 61477298
ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]propanoate
CID 79250354
2-(4-methoxybutylamino)-3-methylbutan-1-ol
CID 104647484
2-[[(2S)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
CID 106932287
3-methyl-2-[2-(trifluoromethylsulfanyl)ethylamino]butan-1-ol
CID 116615651

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(propylamino)butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-(propylamino)butan-1-ol (CID 79254888) is (2S)-3-methyl-2-(propylamino)butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-(propylamino)butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-(propylamino)butan-1-ol is CCCN[C@H](CO)C(C)C.
What is the InChIKey of (2S)-3-methyl-2-(propylamino)butan-1-ol?
The InChIKey is XLRZKALSZKHQJA-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-5-9-8(6-10)7(2)3/h7-10H,4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of (2S)-3-methyl-2-(propylamino)butan-1-ol?
(2S)-3-methyl-2-(propylamino)butan-1-ol has a molecular weight of 145.25 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(propylamino)butan-1-ol is sourced from PubChem (CID 79254888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).