2-methyl-6-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)hexan-1-ol

C15H31NO3 — CID 64803380

IUPAC2-methyl-6-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCOCC1CCCO1
InChIInChI=1S/C15H31NO3/c1-13(2)16-15(3,12-17)8-4-5-9-18-11-14-7-6-10-19-14/h13-14,16-17H,4-12H2,1-3H3
InChIKeyLFLBRJDUUUSBHW-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.10
Rot. Bonds10

About 2-methyl-6-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)hexan-1-ol

2-methyl-6-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)hexan-1-ol (PubChem CID 64803380) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-methyl-6-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)hexan-1-ol.

Molecular Properties

Compound Name2-methyl-6-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)hexan-1-ol
PubChem CID64803380
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name2-methyl-6-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCOCC1CCCO1
InChIInChI=1S/C15H31NO3/c1-13(2)16-15(3,12-17)8-4-5-9-18-11-14-7-6-10-19-14/h13-14,16-17H,4-12H2,1-3H3
InChIKeyLFLBRJDUUUSBHW-UHFFFAOYSA-N
XLogP2.10
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64805051
2-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-(propan-2-ylamino)hexan-1-ol
CID 106497589
6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 106206844
2,2-dimethyl-6-(oxolan-2-ylmethoxy)hexanenitrile
CID 106710387
4-methoxy-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pentan-2-amine
CID 43147199
2-methyl-6-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)hexan-1-ol
CID 64802360
3-(oxan-2-ylmethoxy)propan-1-ol
CID 63054995
2,2-dimethyl-5-(oxolan-2-ylmethoxy)pentanoic acid
CID 65259862
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 107904862
2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexan-1-ol
CID 103286053
2-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 91298433
N-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43205697

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)hexan-1-ol?
The IUPAC name of 2-methyl-6-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)hexan-1-ol (CID 64803380) is 2-methyl-6-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)hexan-1-ol.
What is the SMILES notation for 2-methyl-6-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)hexan-1-ol?
The canonical SMILES for 2-methyl-6-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)hexan-1-ol is CC(C)NC(C)(CO)CCCCOCC1CCCO1.
What is the InChIKey of 2-methyl-6-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)hexan-1-ol?
The InChIKey is LFLBRJDUUUSBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-13(2)16-15(3,12-17)8-4-5-9-18-11-14-7-6-10-19-14/h13-14,16-17H,4-12H2,1-3H3.
What are the key properties of 2-methyl-6-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)hexan-1-ol?
2-methyl-6-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)hexan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 2.10, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)hexan-1-ol is sourced from PubChem (CID 64803380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).