2-[methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]ethanol

C19H35NO — CID 5470377

IUPAC2-[methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]ethanol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCN(C)CCO
InChIInChI=1S/C19H35NO/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,21H,6-8,10,12,14-16H2,1-5H3/b18-11+,19-13+
InChIKeyKRCONAOEGXJNMF-NWLVNBMCSA-N
MW293.50 g/mol
LogP4.72
Rot. Bonds11

About 2-[methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]ethanol

2-[methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]ethanol (PubChem CID 5470377) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 2-[methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]ethanol
PubChem CID5470377
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name2-[methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]ethanol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCN(C)CCO
InChIInChI=1S/C19H35NO/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,21H,6-8,10,12,14-16H2,1-5H3/b18-11+,19-13+
InChIKeyKRCONAOEGXJNMF-NWLVNBMCSA-N
XLogP4.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]ethanol?
The IUPAC name of 2-[methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]ethanol (CID 5470377) is 2-[methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]ethanol is CC(C)=CCC/C(C)=C/CC/C(C)=C/CCN(C)CCO.
What is the InChIKey of 2-[methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]ethanol?
The InChIKey is KRCONAOEGXJNMF-NWLVNBMCSA-N. The full InChI is InChI=1S/C19H35NO/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,21H,6-8,10,12,14-16H2,1-5H3/b18-11+,19-13+.
What are the key properties of 2-[methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]ethanol?
2-[methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]ethanol has a molecular weight of 293.50 g/mol, XLogP of 4.72, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]ethanol is sourced from PubChem (CID 5470377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).