4-ethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-ol

C16H33NO — CID 55094396

IUPAC4-ethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(CN(CC(C)C)C(C)C)C1
InChIInChI=1S/C16H33NO/c1-6-14-7-8-16(18)15(9-14)11-17(13(4)5)10-12(2)3/h12-16,18H,6-11H2,1-5H3
InChIKeyKGTCTAOTPZKQNY-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.54
Rot. Bonds6

About 4-ethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-ol

4-ethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 55094396) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 4-ethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID55094396
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name4-ethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(CN(CC(C)C)C(C)C)C1
InChIInChI=1S/C16H33NO/c1-6-14-7-8-16(18)15(9-14)11-17(13(4)5)10-12(2)3/h12-16,18H,6-11H2,1-5H3
InChIKeyKGTCTAOTPZKQNY-UHFFFAOYSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-ol (CID 55094396) is 4-ethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-ol is CCC1CCC(O)C(CN(CC(C)C)C(C)C)C1.
What is the InChIKey of 4-ethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is KGTCTAOTPZKQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-6-14-7-8-16(18)15(9-14)11-17(13(4)5)10-12(2)3/h12-16,18H,6-11H2,1-5H3.
What are the key properties of 4-ethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-ol?
4-ethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 255.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 55094396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).