4-(tert-butylamino)-2-(4-ethylcyclohexyl)butan-2-ol

C16H33NO — CID 66001067

IUPAC4-(tert-butylamino)-2-(4-ethylcyclohexyl)butan-2-ol
SMILESCCC1CCC(C(C)(O)CCNC(C)(C)C)CC1
InChIInChI=1S/C16H33NO/c1-6-13-7-9-14(10-8-13)16(5,18)11-12-17-15(2,3)4/h13-14,17-18H,6-12H2,1-5H3
InChIKeyDBWRFQUHRKAMOD-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.73
Rot. Bonds5

About 4-(tert-butylamino)-2-(4-ethylcyclohexyl)butan-2-ol

4-(tert-butylamino)-2-(4-ethylcyclohexyl)butan-2-ol (PubChem CID 66001067) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 4-(tert-butylamino)-2-(4-ethylcyclohexyl)butan-2-ol.

Molecular Properties

Compound Name4-(tert-butylamino)-2-(4-ethylcyclohexyl)butan-2-ol
PubChem CID66001067
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name4-(tert-butylamino)-2-(4-ethylcyclohexyl)butan-2-ol
SMILESCCC1CCC(C(C)(O)CCNC(C)(C)C)CC1
InChIInChI=1S/C16H33NO/c1-6-13-7-9-14(10-8-13)16(5,18)11-12-17-15(2,3)4/h13-14,17-18H,6-12H2,1-5H3
InChIKeyDBWRFQUHRKAMOD-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-2-(4-ethylcyclohexyl)butan-2-ol?
The IUPAC name of 4-(tert-butylamino)-2-(4-ethylcyclohexyl)butan-2-ol (CID 66001067) is 4-(tert-butylamino)-2-(4-ethylcyclohexyl)butan-2-ol.
What is the SMILES notation for 4-(tert-butylamino)-2-(4-ethylcyclohexyl)butan-2-ol?
The canonical SMILES for 4-(tert-butylamino)-2-(4-ethylcyclohexyl)butan-2-ol is CCC1CCC(C(C)(O)CCNC(C)(C)C)CC1.
What is the InChIKey of 4-(tert-butylamino)-2-(4-ethylcyclohexyl)butan-2-ol?
The InChIKey is DBWRFQUHRKAMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-6-13-7-9-14(10-8-13)16(5,18)11-12-17-15(2,3)4/h13-14,17-18H,6-12H2,1-5H3.
What are the key properties of 4-(tert-butylamino)-2-(4-ethylcyclohexyl)butan-2-ol?
4-(tert-butylamino)-2-(4-ethylcyclohexyl)butan-2-ol has a molecular weight of 255.45 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-2-(4-ethylcyclohexyl)butan-2-ol is sourced from PubChem (CID 66001067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).