2-[3-[(E)-6-amino-2-ethyl-1-(methylamino)hex-3-enyl]cyclohexyl]ethanol

C17H34N2O — CID 163962987

IUPAC2-[3-[(E)-6-amino-2-ethyl-1-(methylamino)hex-3-enyl]cyclohexyl]ethanol
SMILESCCC(/C=C/CCN)C(NC)C1CCCC(CCO)C1
InChIInChI=1S/C17H34N2O/c1-3-15(8-4-5-11-18)17(19-2)16-9-6-7-14(13-16)10-12-20/h4,8,14-17,19-20H,3,5-7,9-13,18H2,1-2H3/b8-4+
InChIKeySJDQKDYXCLMTJU-XBXARRHUSA-N
MW282.47 g/mol
LogP2.69
Rot. Bonds9

About 2-[3-[(E)-6-amino-2-ethyl-1-(methylamino)hex-3-enyl]cyclohexyl]ethanol

2-[3-[(E)-6-amino-2-ethyl-1-(methylamino)hex-3-enyl]cyclohexyl]ethanol (PubChem CID 163962987) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-[3-[(E)-6-amino-2-ethyl-1-(methylamino)hex-3-enyl]cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[3-[(E)-6-amino-2-ethyl-1-(methylamino)hex-3-enyl]cyclohexyl]ethanol
PubChem CID163962987
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-[3-[(E)-6-amino-2-ethyl-1-(methylamino)hex-3-enyl]cyclohexyl]ethanol
SMILESCCC(/C=C/CCN)C(NC)C1CCCC(CCO)C1
InChIInChI=1S/C17H34N2O/c1-3-15(8-4-5-11-18)17(19-2)16-9-6-7-14(13-16)10-12-20/h4,8,14-17,19-20H,3,5-7,9-13,18H2,1-2H3/b8-4+
InChIKeySJDQKDYXCLMTJU-XBXARRHUSA-N
XLogP2.69
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.69
H-Bond Donors ≤ 53
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-[3-[(E)-6-amino-2-ethyl-1-(methylamino)hex-3-enyl]cyclohexyl]ethanol?
The IUPAC name of 2-[3-[(E)-6-amino-2-ethyl-1-(methylamino)hex-3-enyl]cyclohexyl]ethanol (CID 163962987) is 2-[3-[(E)-6-amino-2-ethyl-1-(methylamino)hex-3-enyl]cyclohexyl]ethanol.
What is the SMILES notation for 2-[3-[(E)-6-amino-2-ethyl-1-(methylamino)hex-3-enyl]cyclohexyl]ethanol?
The canonical SMILES for 2-[3-[(E)-6-amino-2-ethyl-1-(methylamino)hex-3-enyl]cyclohexyl]ethanol is CCC(/C=C/CCN)C(NC)C1CCCC(CCO)C1.
What is the InChIKey of 2-[3-[(E)-6-amino-2-ethyl-1-(methylamino)hex-3-enyl]cyclohexyl]ethanol?
The InChIKey is SJDQKDYXCLMTJU-XBXARRHUSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-15(8-4-5-11-18)17(19-2)16-9-6-7-14(13-16)10-12-20/h4,8,14-17,19-20H,3,5-7,9-13,18H2,1-2H3/b8-4+.
What are the key properties of 2-[3-[(E)-6-amino-2-ethyl-1-(methylamino)hex-3-enyl]cyclohexyl]ethanol?
2-[3-[(E)-6-amino-2-ethyl-1-(methylamino)hex-3-enyl]cyclohexyl]ethanol has a molecular weight of 282.47 g/mol, XLogP of 2.69, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-6-amino-2-ethyl-1-(methylamino)hex-3-enyl]cyclohexyl]ethanol is sourced from PubChem (CID 163962987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).