2-[cyclohexyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol

C16H34N2O — CID 66452348

IUPAC2-[cyclohexyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol
SMILESCCNC(C)C(C)(C)CN(CCO)C1CCCCC1
InChIInChI=1S/C16H34N2O/c1-5-17-14(2)16(3,4)13-18(11-12-19)15-9-7-6-8-10-15/h14-15,17,19H,5-13H2,1-4H3
InChIKeyKONHLBVADQNCOC-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.64
Rot. Bonds8

About 2-[cyclohexyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol

2-[cyclohexyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol (PubChem CID 66452348) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-[cyclohexyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol
PubChem CID66452348
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-[cyclohexyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol
SMILESCCNC(C)C(C)(C)CN(CCO)C1CCCCC1
InChIInChI=1S/C16H34N2O/c1-5-17-14(2)16(3,4)13-18(11-12-19)15-9-7-6-8-10-15/h14-15,17,19H,5-13H2,1-4H3
InChIKeyKONHLBVADQNCOC-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol?
The IUPAC name of 2-[cyclohexyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol (CID 66452348) is 2-[cyclohexyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol?
The canonical SMILES for 2-[cyclohexyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol is CCNC(C)C(C)(C)CN(CCO)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol?
The InChIKey is KONHLBVADQNCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-17-14(2)16(3,4)13-18(11-12-19)15-9-7-6-8-10-15/h14-15,17,19H,5-13H2,1-4H3.
What are the key properties of 2-[cyclohexyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol?
2-[cyclohexyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol has a molecular weight of 270.46 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol is sourced from PubChem (CID 66452348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).