1-(tert-butylamino)-2-methyl-4-(oxolan-2-yl)butan-2-ol

C13H27NO2 — CID 66037038

IUPAC1-(tert-butylamino)-2-methyl-4-(oxolan-2-yl)butan-2-ol
SMILESCC(O)(CCC1CCCO1)CNC(C)(C)C
InChIInChI=1S/C13H27NO2/c1-12(2,3)14-10-13(4,15)8-7-11-6-5-9-16-11/h11,14-15H,5-10H2,1-4H3
InChIKeyVKDRGSUMDXINNX-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.08
Rot. Bonds5

About 1-(tert-butylamino)-2-methyl-4-(oxolan-2-yl)butan-2-ol

1-(tert-butylamino)-2-methyl-4-(oxolan-2-yl)butan-2-ol (PubChem CID 66037038) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-(tert-butylamino)-2-methyl-4-(oxolan-2-yl)butan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-2-methyl-4-(oxolan-2-yl)butan-2-ol
PubChem CID66037038
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-(tert-butylamino)-2-methyl-4-(oxolan-2-yl)butan-2-ol
SMILESCC(O)(CCC1CCCO1)CNC(C)(C)C
InChIInChI=1S/C13H27NO2/c1-12(2,3)14-10-13(4,15)8-7-11-6-5-9-16-11/h11,14-15H,5-10H2,1-4H3
InChIKeyVKDRGSUMDXINNX-UHFFFAOYSA-N
XLogP2.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2,2-diethyl-4-(oxolan-2-yl)butan-1-amine
CID 65164933
1-(tert-butylamino)-3-methyl-6-(oxolan-2-yl)hexan-3-ol
CID 66001469
1-methoxy-3-methyl-5-(oxolan-2-yl)pentan-3-ol
CID 65161751
2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol
CID 104668588
N-tert-butyl-2-ethyl-2-[3-(oxolan-2-yl)propyl]hexan-1-amine
CID 65165541
N-(2-hydroxy-2-methylpentyl)-3-(oxolan-2-yl)propanamide
CID 113246007
1-amino-2-methyl-5-(oxolan-2-yl)pentan-2-ol
CID 66037682
N,3,3-trimethyl-5-(oxolan-2-yl)pentan-1-amine
CID 81022159
2-methyl-1-(methylamino)-3-(oxolan-2-yl)propan-2-ol
CID 66039601
3,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol
CID 65161696
2-cyclopropyl-2-methyl-4-(oxolan-2-yl)butanoic acid
CID 83148663
N-(2-hydroxy-2,5-dimethylhexyl)-3-(oxolan-2-yl)propanamide
CID 111485200

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-2-methyl-4-(oxolan-2-yl)butan-2-ol?
The IUPAC name of 1-(tert-butylamino)-2-methyl-4-(oxolan-2-yl)butan-2-ol (CID 66037038) is 1-(tert-butylamino)-2-methyl-4-(oxolan-2-yl)butan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-2-methyl-4-(oxolan-2-yl)butan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-2-methyl-4-(oxolan-2-yl)butan-2-ol is CC(O)(CCC1CCCO1)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-2-methyl-4-(oxolan-2-yl)butan-2-ol?
The InChIKey is VKDRGSUMDXINNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-12(2,3)14-10-13(4,15)8-7-11-6-5-9-16-11/h11,14-15H,5-10H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-2-methyl-4-(oxolan-2-yl)butan-2-ol?
1-(tert-butylamino)-2-methyl-4-(oxolan-2-yl)butan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-2-methyl-4-(oxolan-2-yl)butan-2-ol is sourced from PubChem (CID 66037038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).