2-methyl-2-(methylamino)-6-(2-methylpentoxy)hexan-1-ol

C14H31NO2 — CID 103286070

IUPAC2-methyl-2-(methylamino)-6-(2-methylpentoxy)hexan-1-ol
SMILESCCCC(C)COCCCCC(C)(CO)NC
InChIInChI=1S/C14H31NO2/c1-5-8-13(2)11-17-10-7-6-9-14(3,12-16)15-4/h13,15-16H,5-12H2,1-4H3
InChIKeyVONXUFLHARNSQE-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.58
Rot. Bonds11

About 2-methyl-2-(methylamino)-6-(2-methylpentoxy)hexan-1-ol

2-methyl-2-(methylamino)-6-(2-methylpentoxy)hexan-1-ol (PubChem CID 103286070) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-6-(2-methylpentoxy)hexan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-6-(2-methylpentoxy)hexan-1-ol
PubChem CID103286070
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name2-methyl-2-(methylamino)-6-(2-methylpentoxy)hexan-1-ol
SMILESCCCC(C)COCCCCC(C)(CO)NC
InChIInChI=1S/C14H31NO2/c1-5-8-13(2)11-17-10-7-6-9-14(3,12-16)15-4/h13,15-16H,5-12H2,1-4H3
InChIKeyVONXUFLHARNSQE-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexan-1-ol
CID 103286053
6-butoxy-2-methyl-2-(methylamino)hexan-1-ol
CID 64806053
2,2-dimethyl-6-(2-methylpentoxy)hexanoic acid
CID 106714417
2-methyl-2-(methylamino)-5-(2-methylpentoxy)pentanamide
CID 103284845
2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol
CID 64802775
2-methyl-2-(methylamino)-4-octoxybutan-1-ol
CID 64811849
2-amino-2-methyl-4-(2-methylpentoxy)butan-1-ol
CID 103286028
2-(ethylamino)-2-methyl-6-(4-methylpentoxy)hexan-1-ol
CID 64802741
2-(ethylamino)-2-methyl-6-(2-methylpentoxy)hexanenitrile
CID 103284800
2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexanenitrile
CID 103284790
2-methyl-2-(methylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
CID 66275331
2-methyl-2-(methylamino)-5-[methyl(pentan-2-yl)amino]pentan-1-ol
CID 64798130

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-6-(2-methylpentoxy)hexan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-6-(2-methylpentoxy)hexan-1-ol (CID 103286070) is 2-methyl-2-(methylamino)-6-(2-methylpentoxy)hexan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-6-(2-methylpentoxy)hexan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-6-(2-methylpentoxy)hexan-1-ol is CCCC(C)COCCCCC(C)(CO)NC.
What is the InChIKey of 2-methyl-2-(methylamino)-6-(2-methylpentoxy)hexan-1-ol?
The InChIKey is VONXUFLHARNSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-5-8-13(2)11-17-10-7-6-9-14(3,12-16)15-4/h13,15-16H,5-12H2,1-4H3.
What are the key properties of 2-methyl-2-(methylamino)-6-(2-methylpentoxy)hexan-1-ol?
2-methyl-2-(methylamino)-6-(2-methylpentoxy)hexan-1-ol has a molecular weight of 245.41 g/mol, XLogP of 2.58, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-6-(2-methylpentoxy)hexan-1-ol is sourced from PubChem (CID 103286070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).