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

C15H31NO2 — CID 62611466

IUPAC2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol
SMILESCCC(CC)N(CCOC)CC1CCCCC1O
InChIInChI=1S/C15H31NO2/c1-4-14(5-2)16(10-11-18-3)12-13-8-6-7-9-15(13)17/h13-15,17H,4-12H2,1-3H3
InChIKeyKDNJZCPINCTGBT-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.67
Rot. Bonds8

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

2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 62611466) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol
PubChem CID62611466
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol
SMILESCCC(CC)N(CCOC)CC1CCCCC1O
InChIInChI=1S/C15H31NO2/c1-4-14(5-2)16(10-11-18-3)12-13-8-6-7-9-15(13)17/h13-15,17H,4-12H2,1-3H3
InChIKeyKDNJZCPINCTGBT-UHFFFAOYSA-N
XLogP2.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 62611467
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-N-methylcycloheptan-1-amine
CID 62611410
2-[[ethyl(2-methoxyethyl)amino]methyl]cycloheptan-1-ol
CID 62610620
5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855744
2-[[ethyl(2-methoxyethyl)amino]methyl]cyclopentan-1-ol
CID 62610458
2-(2-methoxyethyl)cyclohexan-1-ol
CID 14682106
N-(2-methoxyethyl)-N-(piperidin-4-ylmethyl)pentan-3-amine
CID 55002492
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63493385
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-tert-butylcyclohexan-1-ol
CID 62610969
2-[[butan-2-yl(methyl)amino]methyl]cycloheptan-1-ol
CID 62611279
N-cyclopentyl-N'-(2-methoxyethyl)-N'-pentan-3-ylpropane-1,3-diamine
CID 62562576
2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]cyclopentan-1-ol
CID 62610119

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol (CID 62611466) is 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol is CCC(CC)N(CCOC)CC1CCCCC1O.
What is the InChIKey of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is KDNJZCPINCTGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-4-14(5-2)16(10-11-18-3)12-13-8-6-7-9-15(13)17/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol?
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 257.42 g/mol, XLogP of 2.67, 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]cyclohexan-1-ol is sourced from PubChem (CID 62611466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).