2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-tert-butylcyclohexan-1-ol

C18H37NO2 — CID 62610969

IUPAC2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-tert-butylcyclohexan-1-ol
SMILESCCC(C)N(CCOC)CC1CC(C(C)(C)C)CCC1O
InChIInChI=1S/C18H37NO2/c1-7-14(2)19(10-11-21-6)13-15-12-16(18(3,4)5)8-9-17(15)20/h14-17,20H,7-13H2,1-6H3
InChIKeyRTYCGPXMTZKXBZ-UHFFFAOYSA-N
MW299.50 g/mol
LogP3.56
Rot. Bonds7

About 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-tert-butylcyclohexan-1-ol

2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-tert-butylcyclohexan-1-ol (PubChem CID 62610969) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-tert-butylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-tert-butylcyclohexan-1-ol
PubChem CID62610969
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-tert-butylcyclohexan-1-ol
SMILESCCC(C)N(CCOC)CC1CC(C(C)(C)C)CCC1O
InChIInChI=1S/C18H37NO2/c1-7-14(2)19(10-11-21-6)13-15-12-16(18(3,4)5)8-9-17(15)20/h14-17,20H,7-13H2,1-6H3
InChIKeyRTYCGPXMTZKXBZ-UHFFFAOYSA-N
XLogP3.56
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-tert-butylcyclohexan-1-ol with MolForge

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Related Compounds

4-tert-butyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-ol
CID 62610112
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 62611467
4-tert-butyl-2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-ol
CID 62610075
4-tert-butyl-2-(2-ethylbutyl)cyclohexan-1-ol
CID 82930226
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol
CID 62611466
2-[[butan-2-yl(ethyl)amino]methyl]-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63483811
4-tert-butyl-N-ethyl-2-[[ethyl(2-methoxyethyl)amino]methyl]cyclohexan-1-amine
CID 62610178
2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 55094767
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 62611562
3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol
CID 64825382
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 62611397
cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol
CID 59686945

Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-tert-butylcyclohexan-1-ol?
The IUPAC name of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-tert-butylcyclohexan-1-ol (CID 62610969) is 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-tert-butylcyclohexan-1-ol.
What is the SMILES notation for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-tert-butylcyclohexan-1-ol?
The canonical SMILES for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-tert-butylcyclohexan-1-ol is CCC(C)N(CCOC)CC1CC(C(C)(C)C)CCC1O.
What is the InChIKey of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-tert-butylcyclohexan-1-ol?
The InChIKey is RTYCGPXMTZKXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-7-14(2)19(10-11-21-6)13-15-12-16(18(3,4)5)8-9-17(15)20/h14-17,20H,7-13H2,1-6H3.
What are the key properties of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-tert-butylcyclohexan-1-ol?
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-tert-butylcyclohexan-1-ol has a molecular weight of 299.50 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-tert-butylcyclohexan-1-ol is sourced from PubChem (CID 62610969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).