2-[methyl(octa-1,7-dien-3-yl)amino]ethanol

C11H21NO — CID 24976436

IUPAC2-[methyl(octa-1,7-dien-3-yl)amino]ethanol
SMILESC=CCCCC(C=C)N(C)CCO
InChIInChI=1S/C11H21NO/c1-4-6-7-8-11(5-2)12(3)9-10-13/h4-5,11,13H,1-2,6-10H2,3H3
InChIKeyBSCKBBZDSLADQC-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.82
Rot. Bonds8

About 2-[methyl(octa-1,7-dien-3-yl)amino]ethanol

2-[methyl(octa-1,7-dien-3-yl)amino]ethanol (PubChem CID 24976436) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-[methyl(octa-1,7-dien-3-yl)amino]ethanol.

Molecular Properties

Compound Name2-[methyl(octa-1,7-dien-3-yl)amino]ethanol
PubChem CID24976436
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-[methyl(octa-1,7-dien-3-yl)amino]ethanol
SMILESC=CCCCC(C=C)N(C)CCO
InChIInChI=1S/C11H21NO/c1-4-6-7-8-11(5-2)12(3)9-10-13/h4-5,11,13H,1-2,6-10H2,3H3
InChIKeyBSCKBBZDSLADQC-UHFFFAOYSA-N
XLogP1.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(octa-1,7-dien-3-yl)amino]ethanol?
The IUPAC name of 2-[methyl(octa-1,7-dien-3-yl)amino]ethanol (CID 24976436) is 2-[methyl(octa-1,7-dien-3-yl)amino]ethanol.
What is the SMILES notation for 2-[methyl(octa-1,7-dien-3-yl)amino]ethanol?
The canonical SMILES for 2-[methyl(octa-1,7-dien-3-yl)amino]ethanol is C=CCCCC(C=C)N(C)CCO.
What is the InChIKey of 2-[methyl(octa-1,7-dien-3-yl)amino]ethanol?
The InChIKey is BSCKBBZDSLADQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-6-7-8-11(5-2)12(3)9-10-13/h4-5,11,13H,1-2,6-10H2,3H3.
What are the key properties of 2-[methyl(octa-1,7-dien-3-yl)amino]ethanol?
2-[methyl(octa-1,7-dien-3-yl)amino]ethanol has a molecular weight of 183.29 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(octa-1,7-dien-3-yl)amino]ethanol is sourced from PubChem (CID 24976436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).