4-tert-butyl-3-(diethylamino)cyclohexan-1-ol

C14H29NO — CID 165491972

IUPAC4-tert-butyl-3-(diethylamino)cyclohexan-1-ol
SMILESCCN(CC)C1CC(O)CCC1C(C)(C)C
InChIInChI=1S/C14H29NO/c1-6-15(7-2)13-10-11(16)8-9-12(13)14(3,4)5/h11-13,16H,6-10H2,1-5H3
InChIKeyOMJLLBKQRQAUIF-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.90
Rot. Bonds3

About 4-tert-butyl-3-(diethylamino)cyclohexan-1-ol

4-tert-butyl-3-(diethylamino)cyclohexan-1-ol (PubChem CID 165491972) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-tert-butyl-3-(diethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-3-(diethylamino)cyclohexan-1-ol
PubChem CID165491972
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-tert-butyl-3-(diethylamino)cyclohexan-1-ol
SMILESCCN(CC)C1CC(O)CCC1C(C)(C)C
InChIInChI=1S/C14H29NO/c1-6-15(7-2)13-10-11(16)8-9-12(13)14(3,4)5/h11-13,16H,6-10H2,1-5H3
InChIKeyOMJLLBKQRQAUIF-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-3-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 165498179
4-tert-butyl-3-(dipropylamino)cyclohexan-1-ol
CID 165498702
4-tert-butyl-3-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol
CID 165498706
3-[ethyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496311
4-tert-butyl-3-[2,2-difluoropropyl(methyl)amino]cyclohexan-1-ol
CID 165491996
4-tert-butyl-3-[cyclobutylmethyl(methyl)amino]cyclohexan-1-ol
CID 165498697
4-tert-butyl-3-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol
CID 165498695
3-[ethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165491462
3-(diethylamino)cyclopentan-1-ol
CID 79643942
4-tert-butyl-3-(ethylamino)cyclohexan-1-ol
CID 165490862
(1R,2S,4R)-2-tert-butylcyclohexane-1,4-diol
CID 124526361
3-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165497487

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-(diethylamino)cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-3-(diethylamino)cyclohexan-1-ol (CID 165491972) is 4-tert-butyl-3-(diethylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-3-(diethylamino)cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-3-(diethylamino)cyclohexan-1-ol is CCN(CC)C1CC(O)CCC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-(diethylamino)cyclohexan-1-ol?
The InChIKey is OMJLLBKQRQAUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-15(7-2)13-10-11(16)8-9-12(13)14(3,4)5/h11-13,16H,6-10H2,1-5H3.
What are the key properties of 4-tert-butyl-3-(diethylamino)cyclohexan-1-ol?
4-tert-butyl-3-(diethylamino)cyclohexan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.90, 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-(diethylamino)cyclohexan-1-ol is sourced from PubChem (CID 165491972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).