2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N,N-dimethylethanamine

C14H27NO2 — CID 144515476

IUPAC2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N,N-dimethylethanamine
SMILESC=CC(CC/C=C(/C)COCCN(C)C)OC
InChIInChI=1S/C14H27NO2/c1-6-14(16-5)9-7-8-13(2)12-17-11-10-15(3)4/h6,8,14H,1,7,9-12H2,2-5H3/b13-8-
InChIKeyITLWCBQYQMVCKX-JYRVWZFOSA-N
MW241.37 g/mol
LogP2.49
Rot. Bonds10

About 2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N,N-dimethylethanamine

2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N,N-dimethylethanamine (PubChem CID 144515476) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N,N-dimethylethanamine
PubChem CID144515476
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N,N-dimethylethanamine
SMILESC=CC(CC/C=C(/C)COCCN(C)C)OC
InChIInChI=1S/C14H27NO2/c1-6-14(16-5)9-7-8-13(2)12-17-11-10-15(3)4/h6,8,14H,1,7,9-12H2,2-5H3/b13-8-
InChIKeyITLWCBQYQMVCKX-JYRVWZFOSA-N
XLogP2.49
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-methoxycyclohexa-1,5-dien-1-yl)ethoxy]-N,N-dimethylethanamine
CID 89688794
2-[(4E)-4-ethenyl-3-ethoxyhepta-1,4,6-trien-2-yl]oxy-N,N-dimethylethanamine
CID 90443583
N-ethyl-N-methyl-2-(3-methylhex-4-en-3-yloxy)ethanamine
CID 91538759
N,N-dimethyl-2-pent-3-en-2-yloxyethanamine
CID 124017904
N,N-dimethyl-2-[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]oxyethanamine
CID 129059958
N,N-dimethyl-2-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]ethoxy]ethanamine
CID 139502135
4-[2-[(2Z,5Z)-5-methylcycloocta-2,5-dien-1-yl]oxyethyl]morpholine
CID 142097269
N,N-dimethyl-2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethanamine
CID 144107502
(7E,12Z)-9-methoxy-13-methyl-1-oxa-4-azacyclotetradeca-7,12-diene
CID 144515516
(7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene
CID 144515531
(7E,12Z)-9-methoxy-5,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-diene
CID 144515537
ethane;(7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene
CID 144515564

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N,N-dimethylethanamine (CID 144515476) is 2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N,N-dimethylethanamine is C=CC(CC/C=C(/C)COCCN(C)C)OC.
What is the InChIKey of 2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N,N-dimethylethanamine?
The InChIKey is ITLWCBQYQMVCKX-JYRVWZFOSA-N. The full InChI is InChI=1S/C14H27NO2/c1-6-14(16-5)9-7-8-13(2)12-17-11-10-15(3)4/h6,8,14H,1,7,9-12H2,2-5H3/b13-8-.
What are the key properties of 2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N,N-dimethylethanamine?
2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N,N-dimethylethanamine has a molecular weight of 241.37 g/mol, XLogP of 2.49, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 144515476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).