4-tert-butyl-2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]cyclohexan-1-ol

C18H37NO — CID 63488055

IUPAC4-tert-butyl-2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]cyclohexan-1-ol
SMILESCC(N(C)CC1CC(C(C)(C)C)CCC1O)C(C)(C)C
InChIInChI=1S/C18H37NO/c1-13(17(2,3)4)19(8)12-14-11-15(18(5,6)7)9-10-16(14)20/h13-16,20H,9-12H2,1-8H3
InChIKeyUIWLOBABNFLYHD-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.18
Rot. Bonds3

About 4-tert-butyl-2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]cyclohexan-1-ol

4-tert-butyl-2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]cyclohexan-1-ol (PubChem CID 63488055) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 4-tert-butyl-2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]cyclohexan-1-ol
PubChem CID63488055
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name4-tert-butyl-2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]cyclohexan-1-ol
SMILESCC(N(C)CC1CC(C(C)(C)C)CCC1O)C(C)(C)C
InChIInChI=1S/C18H37NO/c1-13(17(2,3)4)19(8)12-14-11-15(18(5,6)7)9-10-16(14)20/h13-16,20H,9-12H2,1-8H3
InChIKeyUIWLOBABNFLYHD-UHFFFAOYSA-N
XLogP4.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]cyclohexan-1-ol (CID 63488055) is 4-tert-butyl-2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]cyclohexan-1-ol is CC(N(C)CC1CC(C(C)(C)C)CCC1O)C(C)(C)C.
What is the InChIKey of 4-tert-butyl-2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is UIWLOBABNFLYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-13(17(2,3)4)19(8)12-14-11-15(18(5,6)7)9-10-16(14)20/h13-16,20H,9-12H2,1-8H3.
What are the key properties of 4-tert-butyl-2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]cyclohexan-1-ol?
4-tert-butyl-2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 283.50 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 63488055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).