1-(butan-2-ylamino)-2-methylbutan-2-ol

C9H21NO — CID 65108531

IUPAC1-(butan-2-ylamino)-2-methylbutan-2-ol
SMILESCCC(C)NCC(C)(O)CC
InChIInChI=1S/C9H21NO/c1-5-8(3)10-7-9(4,11)6-2/h8,10-11H,5-7H2,1-4H3
InChIKeyIGHQCRWLWZUYJJ-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.54
Rot. Bonds5

About 1-(butan-2-ylamino)-2-methylbutan-2-ol

1-(butan-2-ylamino)-2-methylbutan-2-ol (PubChem CID 65108531) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 1-(butan-2-ylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(butan-2-ylamino)-2-methylbutan-2-ol
PubChem CID65108531
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name1-(butan-2-ylamino)-2-methylbutan-2-ol
SMILESCCC(C)NCC(C)(O)CC
InChIInChI=1S/C9H21NO/c1-5-8(3)10-7-9(4,11)6-2/h8,10-11H,5-7H2,1-4H3
InChIKeyIGHQCRWLWZUYJJ-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-ylamino)-2-methylbutan-2-ol?
The IUPAC name of 1-(butan-2-ylamino)-2-methylbutan-2-ol (CID 65108531) is 1-(butan-2-ylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(butan-2-ylamino)-2-methylbutan-2-ol?
The canonical SMILES for 1-(butan-2-ylamino)-2-methylbutan-2-ol is CCC(C)NCC(C)(O)CC.
What is the InChIKey of 1-(butan-2-ylamino)-2-methylbutan-2-ol?
The InChIKey is IGHQCRWLWZUYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-8(3)10-7-9(4,11)6-2/h8,10-11H,5-7H2,1-4H3.
What are the key properties of 1-(butan-2-ylamino)-2-methylbutan-2-ol?
1-(butan-2-ylamino)-2-methylbutan-2-ol has a molecular weight of 159.27 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-ylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 65108531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).