(2S)-2-methyl-1-(propan-2-ylamino)butan-1-ol

C8H19NO — CID 153316647

IUPAC(2S)-2-methyl-1-(propan-2-ylamino)butan-1-ol
SMILESCC[C@H](C)C(O)NC(C)C
InChIInChI=1S/C8H19NO/c1-5-7(4)8(10)9-6(2)3/h6-10H,5H2,1-4H3/t7-,8?/m0/s1
InChIKeyKPURDJYHZSNVEF-JAMMHHFISA-N
MW145.25 g/mol
LogP1.35
Rot. Bonds4

About (2S)-2-methyl-1-(propan-2-ylamino)butan-1-ol

(2S)-2-methyl-1-(propan-2-ylamino)butan-1-ol (PubChem CID 153316647) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is (2S)-2-methyl-1-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name(2S)-2-methyl-1-(propan-2-ylamino)butan-1-ol
PubChem CID153316647
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name(2S)-2-methyl-1-(propan-2-ylamino)butan-1-ol
SMILESCC[C@H](C)C(O)NC(C)C
InChIInChI=1S/C8H19NO/c1-5-7(4)8(10)9-6(2)3/h6-10H,5H2,1-4H3/t7-,8?/m0/s1
InChIKeyKPURDJYHZSNVEF-JAMMHHFISA-N
XLogP1.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(propan-2-ylamino)propan-1-ol
CID 20572331
2-methyl-1-(propan-2-ylamino)propan-1-ol;hydrochloride
CID 71342395
(2S,3R)-3-methylpentan-2-ol
CID 6993006
(3R)-3-(propan-2-ylamino)butan-2-ol
CID 168776217
1-(propan-2-ylamino)ethanol
CID 20976152
1-(1-hydroxypropylamino)-2-methylpropan-1-ol
CID 141048666
propane;N-propan-2-ylpentan-3-amine
CID 144761250
2-hydroxy-3-methyl-N-propan-2-ylpentanamide
CID 59882624
1-(3-methylpentan-2-yl)-3-propan-2-ylurea
CID 115591147
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
2-[[(1S)-1,2-dihydroxy-3-methylpentyl]amino]-N-propan-2-ylacetamide
CID 59115752
(1R)-1-methoxy-2-methylbutan-1-ol
CID 88580756

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-(propan-2-ylamino)butan-1-ol?
The IUPAC name of (2S)-2-methyl-1-(propan-2-ylamino)butan-1-ol (CID 153316647) is (2S)-2-methyl-1-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for (2S)-2-methyl-1-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for (2S)-2-methyl-1-(propan-2-ylamino)butan-1-ol is CC[C@H](C)C(O)NC(C)C.
What is the InChIKey of (2S)-2-methyl-1-(propan-2-ylamino)butan-1-ol?
The InChIKey is KPURDJYHZSNVEF-JAMMHHFISA-N. The full InChI is InChI=1S/C8H19NO/c1-5-7(4)8(10)9-6(2)3/h6-10H,5H2,1-4H3/t7-,8?/m0/s1.
What are the key properties of (2S)-2-methyl-1-(propan-2-ylamino)butan-1-ol?
(2S)-2-methyl-1-(propan-2-ylamino)butan-1-ol has a molecular weight of 145.25 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 153316647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).