(3S)-3-(tert-butylamino)-2-methylbutan-2-ol

C9H21NO — CID 177078671

IUPAC(3S)-3-(tert-butylamino)-2-methylbutan-2-ol
SMILESC[C@H](NC(C)(C)C)C(C)(C)O
InChIInChI=1S/C9H21NO/c1-7(9(5,6)11)10-8(2,3)4/h7,10-11H,1-6H3/t7-/m0/s1
InChIKeyDAPUFEOSUWAMNS-ZETCQYMHSA-N
MW159.27 g/mol
LogP1.53
Rot. Bonds2

About (3S)-3-(tert-butylamino)-2-methylbutan-2-ol

(3S)-3-(tert-butylamino)-2-methylbutan-2-ol (PubChem CID 177078671) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (3S)-3-(tert-butylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name(3S)-3-(tert-butylamino)-2-methylbutan-2-ol
PubChem CID177078671
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(3S)-3-(tert-butylamino)-2-methylbutan-2-ol
SMILESC[C@H](NC(C)(C)C)C(C)(C)O
InChIInChI=1S/C9H21NO/c1-7(9(5,6)11)10-8(2,3)4/h7,10-11H,1-6H3/t7-/m0/s1
InChIKeyDAPUFEOSUWAMNS-ZETCQYMHSA-N
XLogP1.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(tert-butylamino)-2-methylbutan-2-ol?
The IUPAC name of (3S)-3-(tert-butylamino)-2-methylbutan-2-ol (CID 177078671) is (3S)-3-(tert-butylamino)-2-methylbutan-2-ol.
What is the SMILES notation for (3S)-3-(tert-butylamino)-2-methylbutan-2-ol?
The canonical SMILES for (3S)-3-(tert-butylamino)-2-methylbutan-2-ol is C[C@H](NC(C)(C)C)C(C)(C)O.
What is the InChIKey of (3S)-3-(tert-butylamino)-2-methylbutan-2-ol?
The InChIKey is DAPUFEOSUWAMNS-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H21NO/c1-7(9(5,6)11)10-8(2,3)4/h7,10-11H,1-6H3/t7-/m0/s1.
What are the key properties of (3S)-3-(tert-butylamino)-2-methylbutan-2-ol?
(3S)-3-(tert-butylamino)-2-methylbutan-2-ol has a molecular weight of 159.27 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(tert-butylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 177078671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).