(2S)-2-(tert-butylamino)-3,3-dimethylbutan-1-ol

C10H23NO — CID 166809211

IUPAC(2S)-2-(tert-butylamino)-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)N[C@H](CO)C(C)(C)C
InChIInChI=1S/C10H23NO/c1-9(2,3)8(7-12)11-10(4,5)6/h8,11-12H,7H2,1-6H3/t8-/m1/s1
InChIKeyBPJYCDLVFAYEKN-MRVPVSSYSA-N
MW173.30 g/mol
LogP1.78
Rot. Bonds2

About (2S)-2-(tert-butylamino)-3,3-dimethylbutan-1-ol

(2S)-2-(tert-butylamino)-3,3-dimethylbutan-1-ol (PubChem CID 166809211) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is (2S)-2-(tert-butylamino)-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-(tert-butylamino)-3,3-dimethylbutan-1-ol
PubChem CID166809211
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name(2S)-2-(tert-butylamino)-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)N[C@H](CO)C(C)(C)C
InChIInChI=1S/C10H23NO/c1-9(2,3)8(7-12)11-10(4,5)6/h8,11-12H,7H2,1-6H3/t8-/m1/s1
InChIKeyBPJYCDLVFAYEKN-MRVPVSSYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(tert-butylamino)-3,3-dimethylbutan-1-ol?
The IUPAC name of (2S)-2-(tert-butylamino)-3,3-dimethylbutan-1-ol (CID 166809211) is (2S)-2-(tert-butylamino)-3,3-dimethylbutan-1-ol.
What is the SMILES notation for (2S)-2-(tert-butylamino)-3,3-dimethylbutan-1-ol?
The canonical SMILES for (2S)-2-(tert-butylamino)-3,3-dimethylbutan-1-ol is CC(C)(C)N[C@H](CO)C(C)(C)C.
What is the InChIKey of (2S)-2-(tert-butylamino)-3,3-dimethylbutan-1-ol?
The InChIKey is BPJYCDLVFAYEKN-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H23NO/c1-9(2,3)8(7-12)11-10(4,5)6/h8,11-12H,7H2,1-6H3/t8-/m1/s1.
What are the key properties of (2S)-2-(tert-butylamino)-3,3-dimethylbutan-1-ol?
(2S)-2-(tert-butylamino)-3,3-dimethylbutan-1-ol has a molecular weight of 173.30 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(tert-butylamino)-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 166809211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).