2-[cyclohexyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol

C14H28N2O — CID 103069995

IUPAC2-[cyclohexyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol
SMILESC=C(CNCC)CN(CCO)C1CCCCC1
InChIInChI=1S/C14H28N2O/c1-3-15-11-13(2)12-16(9-10-17)14-7-5-4-6-8-14/h14-15,17H,2-12H2,1H3
InChIKeyNQFPTHFKEBEHCI-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.78
Rot. Bonds8

About 2-[cyclohexyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol

2-[cyclohexyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol (PubChem CID 103069995) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[cyclohexyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol
PubChem CID103069995
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-[cyclohexyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol
SMILESC=C(CNCC)CN(CCO)C1CCCCC1
InChIInChI=1S/C14H28N2O/c1-3-15-11-13(2)12-16(9-10-17)14-7-5-4-6-8-14/h14-15,17H,2-12H2,1H3
InChIKeyNQFPTHFKEBEHCI-UHFFFAOYSA-N
XLogP1.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol?
The IUPAC name of 2-[cyclohexyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol (CID 103069995) is 2-[cyclohexyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol?
The canonical SMILES for 2-[cyclohexyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol is C=C(CNCC)CN(CCO)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol?
The InChIKey is NQFPTHFKEBEHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-15-11-13(2)12-16(9-10-17)14-7-5-4-6-8-14/h14-15,17H,2-12H2,1H3.
What are the key properties of 2-[cyclohexyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol?
2-[cyclohexyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol has a molecular weight of 240.39 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol is sourced from PubChem (CID 103069995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).