4-tert-butyl-2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-ol

C17H33NO — CID 62610075

IUPAC4-tert-butyl-2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-ol
SMILESCC(C1CC1)N(C)CC1CC(C(C)(C)C)CCC1O
InChIInChI=1S/C17H33NO/c1-12(13-6-7-13)18(5)11-14-10-15(17(2,3)4)8-9-16(14)19/h12-16,19H,6-11H2,1-5H3
InChIKeyDIRQJMFMJKCVMR-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.54
Rot. Bonds4

About 4-tert-butyl-2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-ol

4-tert-butyl-2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-ol (PubChem CID 62610075) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 4-tert-butyl-2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-ol
PubChem CID62610075
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name4-tert-butyl-2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-ol
SMILESCC(C1CC1)N(C)CC1CC(C(C)(C)C)CCC1O
InChIInChI=1S/C17H33NO/c1-12(13-6-7-13)18(5)11-14-10-15(17(2,3)4)8-9-16(14)19/h12-16,19H,6-11H2,1-5H3
InChIKeyDIRQJMFMJKCVMR-UHFFFAOYSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
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-tert-butyl-2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-ol (CID 62610075) is 4-tert-butyl-2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-ol is CC(C1CC1)N(C)CC1CC(C(C)(C)C)CCC1O.
What is the InChIKey of 4-tert-butyl-2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is DIRQJMFMJKCVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-12(13-6-7-13)18(5)11-14-10-15(17(2,3)4)8-9-16(14)19/h12-16,19H,6-11H2,1-5H3.
What are the key properties of 4-tert-butyl-2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-ol?
4-tert-butyl-2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 267.46 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 62610075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).