1-(3-methylbutan-2-ylamino)propan-2-ol

C8H19NO — CID 43499380

IUPAC1-(3-methylbutan-2-ylamino)propan-2-ol
SMILESCC(O)CNC(C)C(C)C
InChIInChI=1S/C8H19NO/c1-6(2)8(4)9-5-7(3)10/h6-10H,5H2,1-4H3
InChIKeyZRQQQPCOWOCCSG-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.00
Rot. Bonds4

About 1-(3-methylbutan-2-ylamino)propan-2-ol

1-(3-methylbutan-2-ylamino)propan-2-ol (PubChem CID 43499380) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 1-(3-methylbutan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-methylbutan-2-ylamino)propan-2-ol
PubChem CID43499380
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name1-(3-methylbutan-2-ylamino)propan-2-ol
SMILESCC(O)CNC(C)C(C)C
InChIInChI=1S/C8H19NO/c1-6(2)8(4)9-5-7(3)10/h6-10H,5H2,1-4H3
InChIKeyZRQQQPCOWOCCSG-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(3-methylbutan-2-ylamino)propan-2-ol (CID 43499380) is 1-(3-methylbutan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(3-methylbutan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(3-methylbutan-2-ylamino)propan-2-ol is CC(O)CNC(C)C(C)C.
What is the InChIKey of 1-(3-methylbutan-2-ylamino)propan-2-ol?
The InChIKey is ZRQQQPCOWOCCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-6(2)8(4)9-5-7(3)10/h6-10H,5H2,1-4H3.
What are the key properties of 1-(3-methylbutan-2-ylamino)propan-2-ol?
1-(3-methylbutan-2-ylamino)propan-2-ol has a molecular weight of 145.25 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutan-2-ylamino)propan-2-ol is sourced from PubChem (CID 43499380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).