2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-methylcyclohexan-1-ol

C16H33NO2 — CID 62611467

IUPAC2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCCC(CC)N(CCOC)CC1CC(C)CCC1O
InChIInChI=1S/C16H33NO2/c1-5-15(6-2)17(9-10-19-4)12-14-11-13(3)7-8-16(14)18/h13-16,18H,5-12H2,1-4H3
InChIKeyBROFHYQLGJODAL-UHFFFAOYSA-N
MW271.44 g/mol
LogP2.92
Rot. Bonds8

About 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-methylcyclohexan-1-ol

2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 62611467) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-methylcyclohexan-1-ol
PubChem CID62611467
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCCC(CC)N(CCOC)CC1CC(C)CCC1O
InChIInChI=1S/C16H33NO2/c1-5-15(6-2)17(9-10-19-4)12-14-11-13(3)7-8-16(14)18/h13-16,18H,5-12H2,1-4H3
InChIKeyBROFHYQLGJODAL-UHFFFAOYSA-N
XLogP2.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-methylcyclohexan-1-ol with MolForge

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Related Compounds

2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol
CID 62611466
5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855744
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-tert-butylcyclohexan-1-ol
CID 62610969
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 62611562
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63493385
2-[2-methoxyethyl(propan-2-yl)amino]-4-methylcyclohexan-1-ol
CID 82961110
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-N-methylcycloheptan-1-amine
CID 62611410
N-(2-methoxyethyl)-N-(piperidin-4-ylmethyl)pentan-3-amine
CID 55002492
4-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]cyclohexan-1-ol
CID 62610991
2-[[ethyl(2-methoxyethyl)amino]methyl]cyclopentan-1-ol
CID 62610458
2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 62610271
4-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-ol
CID 63966531

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-methylcyclohexan-1-ol (CID 62611467) is 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-methylcyclohexan-1-ol is CCC(CC)N(CCOC)CC1CC(C)CCC1O.
What is the InChIKey of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is BROFHYQLGJODAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-5-15(6-2)17(9-10-19-4)12-14-11-13(3)7-8-16(14)18/h13-16,18H,5-12H2,1-4H3.
What are the key properties of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-methylcyclohexan-1-ol?
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 271.44 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 62611467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).