(1R)-1-[[(Z)-2-ethyl-3-methyldec-4-enyl]amino]ethanol

C15H31NO — CID 143359261

IUPAC(1R)-1-[[(Z)-2-ethyl-3-methyldec-4-enyl]amino]ethanol
SMILESCCCCC/C=C\C(C)C(CC)CN[C@@H](C)O
InChIInChI=1S/C15H31NO/c1-5-7-8-9-10-11-13(3)15(6-2)12-16-14(4)17/h10-11,13-17H,5-9,12H2,1-4H3/b11-10-/t13?,14-,15?/m1/s1
InChIKeyZQAOQPOISGHQJI-KKVBOLDASA-N
MW241.42 g/mol
LogP3.71
Rot. Bonds10

About (1R)-1-[[(Z)-2-ethyl-3-methyldec-4-enyl]amino]ethanol

(1R)-1-[[(Z)-2-ethyl-3-methyldec-4-enyl]amino]ethanol (PubChem CID 143359261) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is (1R)-1-[[(Z)-2-ethyl-3-methyldec-4-enyl]amino]ethanol.

Molecular Properties

Compound Name(1R)-1-[[(Z)-2-ethyl-3-methyldec-4-enyl]amino]ethanol
PubChem CID143359261
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name(1R)-1-[[(Z)-2-ethyl-3-methyldec-4-enyl]amino]ethanol
SMILESCCCCC/C=C\C(C)C(CC)CN[C@@H](C)O
InChIInChI=1S/C15H31NO/c1-5-7-8-9-10-11-13(3)15(6-2)12-16-14(4)17/h10-11,13-17H,5-9,12H2,1-4H3/b11-10-/t13?,14-,15?/m1/s1
InChIKeyZQAOQPOISGHQJI-KKVBOLDASA-N
XLogP3.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[[(Z)-2-ethyl-3-methyldec-4-enyl]amino]ethanol?
The IUPAC name of (1R)-1-[[(Z)-2-ethyl-3-methyldec-4-enyl]amino]ethanol (CID 143359261) is (1R)-1-[[(Z)-2-ethyl-3-methyldec-4-enyl]amino]ethanol.
What is the SMILES notation for (1R)-1-[[(Z)-2-ethyl-3-methyldec-4-enyl]amino]ethanol?
The canonical SMILES for (1R)-1-[[(Z)-2-ethyl-3-methyldec-4-enyl]amino]ethanol is CCCCC/C=C\C(C)C(CC)CN[C@@H](C)O.
What is the InChIKey of (1R)-1-[[(Z)-2-ethyl-3-methyldec-4-enyl]amino]ethanol?
The InChIKey is ZQAOQPOISGHQJI-KKVBOLDASA-N. The full InChI is InChI=1S/C15H31NO/c1-5-7-8-9-10-11-13(3)15(6-2)12-16-14(4)17/h10-11,13-17H,5-9,12H2,1-4H3/b11-10-/t13?,14-,15?/m1/s1.
What are the key properties of (1R)-1-[[(Z)-2-ethyl-3-methyldec-4-enyl]amino]ethanol?
(1R)-1-[[(Z)-2-ethyl-3-methyldec-4-enyl]amino]ethanol has a molecular weight of 241.42 g/mol, XLogP of 3.71, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[[(Z)-2-ethyl-3-methyldec-4-enyl]amino]ethanol is sourced from PubChem (CID 143359261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).