(3R)-3-(propan-2-ylamino)butan-2-ol

C7H17NO — CID 168776217

IUPAC(3R)-3-(propan-2-ylamino)butan-2-ol
SMILESCC(C)N[C@H](C)C(C)O
InChIInChI=1S/C7H17NO/c1-5(2)8-6(3)7(4)9/h5-9H,1-4H3/t6-,7?/m1/s1
InChIKeyWVAAPUJBEYSPKS-ULUSZKPHSA-N
MW131.22 g/mol
LogP0.75
Rot. Bonds3

About (3R)-3-(propan-2-ylamino)butan-2-ol

(3R)-3-(propan-2-ylamino)butan-2-ol (PubChem CID 168776217) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (3R)-3-(propan-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name(3R)-3-(propan-2-ylamino)butan-2-ol
PubChem CID168776217
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(3R)-3-(propan-2-ylamino)butan-2-ol
SMILESCC(C)N[C@H](C)C(C)O
InChIInChI=1S/C7H17NO/c1-5(2)8-6(3)7(4)9/h5-9H,1-4H3/t6-,7?/m1/s1
InChIKeyWVAAPUJBEYSPKS-ULUSZKPHSA-N
XLogP0.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(propan-2-ylamino)butan-2-ol?
The IUPAC name of (3R)-3-(propan-2-ylamino)butan-2-ol (CID 168776217) is (3R)-3-(propan-2-ylamino)butan-2-ol.
What is the SMILES notation for (3R)-3-(propan-2-ylamino)butan-2-ol?
The canonical SMILES for (3R)-3-(propan-2-ylamino)butan-2-ol is CC(C)N[C@H](C)C(C)O.
What is the InChIKey of (3R)-3-(propan-2-ylamino)butan-2-ol?
The InChIKey is WVAAPUJBEYSPKS-ULUSZKPHSA-N. The full InChI is InChI=1S/C7H17NO/c1-5(2)8-6(3)7(4)9/h5-9H,1-4H3/t6-,7?/m1/s1.
What are the key properties of (3R)-3-(propan-2-ylamino)butan-2-ol?
(3R)-3-(propan-2-ylamino)butan-2-ol has a molecular weight of 131.22 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(propan-2-ylamino)butan-2-ol is sourced from PubChem (CID 168776217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).