1-(tert-butylamino)-3-methyl-6-(oxolan-2-yl)hexan-3-ol

C15H31NO2 — CID 66001469

IUPAC1-(tert-butylamino)-3-methyl-6-(oxolan-2-yl)hexan-3-ol
SMILESCC(O)(CCCC1CCCO1)CCNC(C)(C)C
InChIInChI=1S/C15H31NO2/c1-14(2,3)16-11-10-15(4,17)9-5-7-13-8-6-12-18-13/h13,16-17H,5-12H2,1-4H3
InChIKeyVBEFUAUCGNLUAU-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.86
Rot. Bonds7

About 1-(tert-butylamino)-3-methyl-6-(oxolan-2-yl)hexan-3-ol

1-(tert-butylamino)-3-methyl-6-(oxolan-2-yl)hexan-3-ol (PubChem CID 66001469) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-methyl-6-(oxolan-2-yl)hexan-3-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-methyl-6-(oxolan-2-yl)hexan-3-ol
PubChem CID66001469
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-(tert-butylamino)-3-methyl-6-(oxolan-2-yl)hexan-3-ol
SMILESCC(O)(CCCC1CCCO1)CCNC(C)(C)C
InChIInChI=1S/C15H31NO2/c1-14(2,3)16-11-10-15(4,17)9-5-7-13-8-6-12-18-13/h13,16-17H,5-12H2,1-4H3
InChIKeyVBEFUAUCGNLUAU-UHFFFAOYSA-N
XLogP2.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-methyl-5-(oxolan-2-yl)pentan-2-ol
CID 66037682
1-methoxy-3-methyl-6-(oxolan-2-yl)hexan-3-ol
CID 65161752
1-(tert-butylamino)-2-methyl-4-(oxolan-2-yl)butan-2-ol
CID 66037038
N-tert-butyl-7-(oxolan-2-yl)hept-3-en-1-amine
CID 79598771
N-tert-butyl-3-methyl-6-(oxolan-2-yl)hexan-1-amine
CID 81020024
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
3-(tert-butylamino)-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 54917416
N'-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]propane-1,3-diamine
CID 104856051
N'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104855994
1-methoxy-3-methyl-5-(oxolan-2-yl)pentan-3-ol
CID 65161751
N-(2-methoxyethyl)-2,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine
CID 65165816

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-methyl-6-(oxolan-2-yl)hexan-3-ol?
The IUPAC name of 1-(tert-butylamino)-3-methyl-6-(oxolan-2-yl)hexan-3-ol (CID 66001469) is 1-(tert-butylamino)-3-methyl-6-(oxolan-2-yl)hexan-3-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-methyl-6-(oxolan-2-yl)hexan-3-ol?
The canonical SMILES for 1-(tert-butylamino)-3-methyl-6-(oxolan-2-yl)hexan-3-ol is CC(O)(CCCC1CCCO1)CCNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-3-methyl-6-(oxolan-2-yl)hexan-3-ol?
The InChIKey is VBEFUAUCGNLUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-14(2,3)16-11-10-15(4,17)9-5-7-13-8-6-12-18-13/h13,16-17H,5-12H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-3-methyl-6-(oxolan-2-yl)hexan-3-ol?
1-(tert-butylamino)-3-methyl-6-(oxolan-2-yl)hexan-3-ol has a molecular weight of 257.42 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-methyl-6-(oxolan-2-yl)hexan-3-ol is sourced from PubChem (CID 66001469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).