6-butyl-7,8-dimethoxy-5-methyldeca-6,8-dien-1-amine

C17H33NO2 — CID 91476008

IUPAC6-butyl-7,8-dimethoxy-5-methyldeca-6,8-dien-1-amine
SMILESCC=C(OC)C(OC)=C(CCCC)C(C)CCCCN
InChIInChI=1S/C17H33NO2/c1-6-8-12-15(14(3)11-9-10-13-18)17(20-5)16(7-2)19-4/h7,14H,6,8-13,18H2,1-5H3
InChIKeyYGMUECKIOYDXOH-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.39
Rot. Bonds11

About 6-butyl-7,8-dimethoxy-5-methyldeca-6,8-dien-1-amine

6-butyl-7,8-dimethoxy-5-methyldeca-6,8-dien-1-amine (PubChem CID 91476008) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 6-butyl-7,8-dimethoxy-5-methyldeca-6,8-dien-1-amine.

Molecular Properties

Compound Name6-butyl-7,8-dimethoxy-5-methyldeca-6,8-dien-1-amine
PubChem CID91476008
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name6-butyl-7,8-dimethoxy-5-methyldeca-6,8-dien-1-amine
SMILESCC=C(OC)C(OC)=C(CCCC)C(C)CCCCN
InChIInChI=1S/C17H33NO2/c1-6-8-12-15(14(3)11-9-10-13-18)17(20-5)16(7-2)19-4/h7,14H,6,8-13,18H2,1-5H3
InChIKeyYGMUECKIOYDXOH-UHFFFAOYSA-N
XLogP4.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[3-Methoxy-5-methyl-4-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-yl]ethanamine
CID 91537329
[(3Z,5E)-5-methoxy-4-methyl-2-methylidenecyclodeca-3,5-dien-1-yl]methanamine
CID 118612576
[(3Z,5E)-5-methoxy-6-methyl-2-methylidenecyclodeca-3,5-dien-1-yl]methanamine
CID 118612611
(4,5-Dimethoxy-7-methylcycloocta-3,5-dien-1-yl)methanamine
CID 123796005
(11Z)-13-methoxy-5,6,9-trimethyl-10-methylidenetetradeca-11,13-dien-2-amine
CID 145410814
[(2Z)-2-[(E)-1,3-dimethoxybut-2-enylidene]cyclohexyl]methanamine
CID 155314029

Frequently Asked Questions

What is the IUPAC name of 6-butyl-7,8-dimethoxy-5-methyldeca-6,8-dien-1-amine?
The IUPAC name of 6-butyl-7,8-dimethoxy-5-methyldeca-6,8-dien-1-amine (CID 91476008) is 6-butyl-7,8-dimethoxy-5-methyldeca-6,8-dien-1-amine.
What is the SMILES notation for 6-butyl-7,8-dimethoxy-5-methyldeca-6,8-dien-1-amine?
The canonical SMILES for 6-butyl-7,8-dimethoxy-5-methyldeca-6,8-dien-1-amine is CC=C(OC)C(OC)=C(CCCC)C(C)CCCCN.
What is the InChIKey of 6-butyl-7,8-dimethoxy-5-methyldeca-6,8-dien-1-amine?
The InChIKey is YGMUECKIOYDXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-6-8-12-15(14(3)11-9-10-13-18)17(20-5)16(7-2)19-4/h7,14H,6,8-13,18H2,1-5H3.
What are the key properties of 6-butyl-7,8-dimethoxy-5-methyldeca-6,8-dien-1-amine?
6-butyl-7,8-dimethoxy-5-methyldeca-6,8-dien-1-amine has a molecular weight of 283.46 g/mol, XLogP of 4.39, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-7,8-dimethoxy-5-methyldeca-6,8-dien-1-amine is sourced from PubChem (CID 91476008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).