N-ethyl-N-(2-methoxyethyl)-2,2,6-trimethylhepta-3,5-dien-1-amine

C15H29NO — CID 123666535

IUPACN-ethyl-N-(2-methoxyethyl)-2,2,6-trimethylhepta-3,5-dien-1-amine
SMILESCCN(CCOC)CC(C)(C)C=CC=C(C)C
InChIInChI=1S/C15H29NO/c1-7-16(11-12-17-6)13-15(4,5)10-8-9-14(2)3/h8-10H,7,11-13H2,1-6H3
InChIKeyWONBARPZNNHYNU-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds8

About N-ethyl-N-(2-methoxyethyl)-2,2,6-trimethylhepta-3,5-dien-1-amine

N-ethyl-N-(2-methoxyethyl)-2,2,6-trimethylhepta-3,5-dien-1-amine (PubChem CID 123666535) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-ethyl-N-(2-methoxyethyl)-2,2,6-trimethylhepta-3,5-dien-1-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-methoxyethyl)-2,2,6-trimethylhepta-3,5-dien-1-amine
PubChem CID123666535
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-ethyl-N-(2-methoxyethyl)-2,2,6-trimethylhepta-3,5-dien-1-amine
SMILESCCN(CCOC)CC(C)(C)C=CC=C(C)C
InChIInChI=1S/C15H29NO/c1-7-16(11-12-17-6)13-15(4,5)10-8-9-14(2)3/h8-10H,7,11-13H2,1-6H3
InChIKeyWONBARPZNNHYNU-UHFFFAOYSA-N
XLogP3.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2E,4Z)-4-methylhepta-2,4-dienyl]morpholine
CID 88957780
(2R)-N,N-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxypropan-1-amine
CID 89134065
4-[(2E,4Z)-5-ethyl-2-methylhepta-2,4,6-trienyl]morpholine
CID 89261349
1-(2-methoxyethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 89286486
2-[methyl-[(Z)-2-methylidenepent-3-enyl]amino]ethanol
CID 90248759
4-(2-Ethylidenepent-3-enyl)morpholine
CID 90730690
N-ethyl-N-(methoxymethyl)-2-methylidenepent-3-en-1-amine
CID 90742949
2-[Methyl(2-methylidenepent-3-enyl)amino]ethanol
CID 123249276
N-ethyl-2-methoxy-N-[[1-(4-methylhepta-1,3-dienyl)cyclopropyl]methyl]ethanamine
CID 123365734
2-Methoxyethyl-methyl-(3-methylpenta-2,4-dien-2-yl)-propylazanium
CID 123374405
4-(2-Ethenylpent-2-enyl)morpholine
CID 123397948
1-(2-Methoxyethyl)-4-methyl-2,3,6,7-tetrahydroazepine
CID 123448577

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methoxyethyl)-2,2,6-trimethylhepta-3,5-dien-1-amine?
The IUPAC name of N-ethyl-N-(2-methoxyethyl)-2,2,6-trimethylhepta-3,5-dien-1-amine (CID 123666535) is N-ethyl-N-(2-methoxyethyl)-2,2,6-trimethylhepta-3,5-dien-1-amine.
What is the SMILES notation for N-ethyl-N-(2-methoxyethyl)-2,2,6-trimethylhepta-3,5-dien-1-amine?
The canonical SMILES for N-ethyl-N-(2-methoxyethyl)-2,2,6-trimethylhepta-3,5-dien-1-amine is CCN(CCOC)CC(C)(C)C=CC=C(C)C.
What is the InChIKey of N-ethyl-N-(2-methoxyethyl)-2,2,6-trimethylhepta-3,5-dien-1-amine?
The InChIKey is WONBARPZNNHYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-7-16(11-12-17-6)13-15(4,5)10-8-9-14(2)3/h8-10H,7,11-13H2,1-6H3.
What are the key properties of N-ethyl-N-(2-methoxyethyl)-2,2,6-trimethylhepta-3,5-dien-1-amine?
N-ethyl-N-(2-methoxyethyl)-2,2,6-trimethylhepta-3,5-dien-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methoxyethyl)-2,2,6-trimethylhepta-3,5-dien-1-amine is sourced from PubChem (CID 123666535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).