4-tert-butyl-3-[cyclobutylmethyl(methyl)amino]cyclohexan-1-ol

C16H31NO — CID 165498697

IUPAC4-tert-butyl-3-[cyclobutylmethyl(methyl)amino]cyclohexan-1-ol
SMILESCN(CC1CCC1)C1CC(O)CCC1C(C)(C)C
InChIInChI=1S/C16H31NO/c1-16(2,3)14-9-8-13(18)10-15(14)17(4)11-12-6-5-7-12/h12-15,18H,5-11H2,1-4H3
InChIKeyWGQYONXXRSNFPS-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.29
Rot. Bonds3

About 4-tert-butyl-3-[cyclobutylmethyl(methyl)amino]cyclohexan-1-ol

4-tert-butyl-3-[cyclobutylmethyl(methyl)amino]cyclohexan-1-ol (PubChem CID 165498697) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-tert-butyl-3-[cyclobutylmethyl(methyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-3-[cyclobutylmethyl(methyl)amino]cyclohexan-1-ol
PubChem CID165498697
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name4-tert-butyl-3-[cyclobutylmethyl(methyl)amino]cyclohexan-1-ol
SMILESCN(CC1CCC1)C1CC(O)CCC1C(C)(C)C
InChIInChI=1S/C16H31NO/c1-16(2,3)14-9-8-13(18)10-15(14)17(4)11-12-6-5-7-12/h12-15,18H,5-11H2,1-4H3
InChIKeyWGQYONXXRSNFPS-UHFFFAOYSA-N
XLogP3.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-3-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol
CID 165498706
4-tert-butyl-3-[2,2-difluoropropyl(methyl)amino]cyclohexan-1-ol
CID 165491996
4-tert-butyl-3-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol
CID 165498695
4-tert-butyl-3-(diethylamino)cyclohexan-1-ol
CID 165491972
3-[methyl-[(1-methylazetidin-3-yl)methyl]amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496382
4-tert-butyl-3-(dipropylamino)cyclohexan-1-ol
CID 165498702
3-[ethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165491462
2-[cyclopropylmethyl(methyl)amino]cyclopentan-1-ol
CID 60985143
3-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165497487
4-tert-butyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclohexan-1-ol
CID 63236736
4-tert-butyl-3-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 165498179
3-[(2-methoxy-2-methylpropyl)-methylamino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496380

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-[cyclobutylmethyl(methyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-3-[cyclobutylmethyl(methyl)amino]cyclohexan-1-ol (CID 165498697) is 4-tert-butyl-3-[cyclobutylmethyl(methyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-3-[cyclobutylmethyl(methyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-3-[cyclobutylmethyl(methyl)amino]cyclohexan-1-ol is CN(CC1CCC1)C1CC(O)CCC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-[cyclobutylmethyl(methyl)amino]cyclohexan-1-ol?
The InChIKey is WGQYONXXRSNFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-16(2,3)14-9-8-13(18)10-15(14)17(4)11-12-6-5-7-12/h12-15,18H,5-11H2,1-4H3.
What are the key properties of 4-tert-butyl-3-[cyclobutylmethyl(methyl)amino]cyclohexan-1-ol?
4-tert-butyl-3-[cyclobutylmethyl(methyl)amino]cyclohexan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-[cyclobutylmethyl(methyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 165498697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).