2,3-dimethyl-4-(propan-2-ylamino)butan-2-ol

C9H21NO — CID 87601650

IUPAC2,3-dimethyl-4-(propan-2-ylamino)butan-2-ol
SMILESCC(C)NCC(C)C(C)(C)O
InChIInChI=1S/C9H21NO/c1-7(2)10-6-8(3)9(4,5)11/h7-8,10-11H,6H2,1-5H3
InChIKeyAGZFLSHYWDCZDW-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.39
Rot. Bonds4

About 2,3-dimethyl-4-(propan-2-ylamino)butan-2-ol

2,3-dimethyl-4-(propan-2-ylamino)butan-2-ol (PubChem CID 87601650) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2,3-dimethyl-4-(propan-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-4-(propan-2-ylamino)butan-2-ol
PubChem CID87601650
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2,3-dimethyl-4-(propan-2-ylamino)butan-2-ol
SMILESCC(C)NCC(C)C(C)(C)O
InChIInChI=1S/C9H21NO/c1-7(2)10-6-8(3)9(4,5)11/h7-8,10-11H,6H2,1-5H3
InChIKeyAGZFLSHYWDCZDW-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-(propan-2-ylamino)butan-2-ol?
The IUPAC name of 2,3-dimethyl-4-(propan-2-ylamino)butan-2-ol (CID 87601650) is 2,3-dimethyl-4-(propan-2-ylamino)butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-4-(propan-2-ylamino)butan-2-ol?
The canonical SMILES for 2,3-dimethyl-4-(propan-2-ylamino)butan-2-ol is CC(C)NCC(C)C(C)(C)O.
What is the InChIKey of 2,3-dimethyl-4-(propan-2-ylamino)butan-2-ol?
The InChIKey is AGZFLSHYWDCZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-7(2)10-6-8(3)9(4,5)11/h7-8,10-11H,6H2,1-5H3.
What are the key properties of 2,3-dimethyl-4-(propan-2-ylamino)butan-2-ol?
2,3-dimethyl-4-(propan-2-ylamino)butan-2-ol has a molecular weight of 159.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-(propan-2-ylamino)butan-2-ol is sourced from PubChem (CID 87601650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).