4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol

C18H35NO2 — CID 63712484

IUPAC4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)C(N(C)CC2CCOCC2)C1
InChIInChI=1S/C18H35NO2/c1-5-18(2,3)15-6-7-17(20)16(12-15)19(4)13-14-8-10-21-11-9-14/h14-17,20H,5-13H2,1-4H3
InChIKeyVSTMISYODCAGOX-UHFFFAOYSA-N
MW297.48 g/mol
LogP3.31
Rot. Bonds5

About 4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol

4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol (PubChem CID 63712484) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol
PubChem CID63712484
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)C(N(C)CC2CCOCC2)C1
InChIInChI=1S/C18H35NO2/c1-5-18(2,3)15-6-7-17(20)16(12-15)19(4)13-14-8-10-21-11-9-14/h14-17,20H,5-13H2,1-4H3
InChIKeyVSTMISYODCAGOX-UHFFFAOYSA-N
XLogP3.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol
CID 63712306
2-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 64522611
2-(aminomethyl)-N-(cyclopropylmethyl)-N-methyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 54883914
2-[cyclobutylmethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 63073876
4-tert-butyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclohexan-1-ol
CID 63236736
4-(2-methylbutan-2-yl)oxane
CID 91527752
2-N-methyl-4-(2-methylbutan-2-yl)-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine
CID 63275857
4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile
CID 43611137
2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
CID 61431444
N-methyl-N-(oxan-4-ylmethyl)cyclopropanamine
CID 70661195
4-tert-butyl-2-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol
CID 63700984
4-[(4-tert-butylcyclohexyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 104576053

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol (CID 63712484) is 4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol is CCC(C)(C)C1CCC(O)C(N(C)CC2CCOCC2)C1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol?
The InChIKey is VSTMISYODCAGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-5-18(2,3)15-6-7-17(20)16(12-15)19(4)13-14-8-10-21-11-9-14/h14-17,20H,5-13H2,1-4H3.
What are the key properties of 4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol?
4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol has a molecular weight of 297.48 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 63712484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).