ethane;N-ethyl-2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethanamine

C14H25NO — CID 143935670

IUPACethane;N-ethyl-2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethanamine
SMILESCC.CCNCCOC1=CC=C(C)CC=C1
InChIInChI=1S/C12H19NO.C2H6/c1-3-13-9-10-14-12-6-4-5-11(2)7-8-12;1-2/h4,6-8,13H,3,5,9-10H2,1-2H3;1-2H3
InChIKeyNCNRESRWZHMFLZ-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.43
Rot. Bonds5

About ethane;N-ethyl-2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethanamine

ethane;N-ethyl-2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethanamine (PubChem CID 143935670) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is ethane;N-ethyl-2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethanamine.

Molecular Properties

Compound Nameethane;N-ethyl-2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethanamine
PubChem CID143935670
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Nameethane;N-ethyl-2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethanamine
SMILESCC.CCNCCOC1=CC=C(C)CC=C1
InChIInChI=1S/C12H19NO.C2H6/c1-3-13-9-10-14-12-6-4-5-11(2)7-8-12;1-2/h4,6-8,13H,3,5,9-10H2,1-2H3;1-2H3
InChIKeyNCNRESRWZHMFLZ-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine
CID 156867916
3,4,5,7-tetrahydro-2H-1,4-benzoxazepin-7-ide;yttrium
CID 59586494
4-[2-(Methylamino)ethoxy]cyclohexa-2,4-dien-1-amine
CID 68200157
5-[(Z)-3-methylbut-1-enyl]-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 70330097
(2E,4Z)-N-[2-[(2E,4Z)-1-methoxyhepta-2,4,6-trien-2-yl]oxyethyl]octa-2,4-dien-1-amine
CID 88313578
3-[(2Z,4E)-3-methylhepta-2,4-dien-4-yl]oxyazetidine
CID 88614288
(2R,3E,5E)-3-ethenyl-5-methoxy-N-(2-propoxybutyl)hepta-3,5-dien-2-amine
CID 88931434
2-(2-Cyclohexa-1,5-dien-1-yloxyethylamino)ethanol
CID 89009955
14-Methoxy-6-oxa-3-azatricyclo[9.4.0.02,7]pentadeca-1,7,9,10,12,14-hexaene
CID 89139683
2-[1-(2-methoxycyclohexa-1,5-dien-1-yl)ethoxy]-N-methylethanamine
CID 89688709
6-Methyl-7-prop-1-enyl-2,3,4,5-tetrahydro-1,4-oxazepine
CID 91166624
3-ethenyl-5-methoxy-N-(2-propoxybutyl)hepta-3,5-dien-2-amine
CID 123211623

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethanamine?
The IUPAC name of ethane;N-ethyl-2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethanamine (CID 143935670) is ethane;N-ethyl-2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethanamine.
What is the SMILES notation for ethane;N-ethyl-2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethanamine?
The canonical SMILES for ethane;N-ethyl-2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethanamine is CC.CCNCCOC1=CC=C(C)CC=C1.
What is the InChIKey of ethane;N-ethyl-2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethanamine?
The InChIKey is NCNRESRWZHMFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.C2H6/c1-3-13-9-10-14-12-6-4-5-11(2)7-8-12;1-2/h4,6-8,13H,3,5,9-10H2,1-2H3;1-2H3.
What are the key properties of ethane;N-ethyl-2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethanamine?
ethane;N-ethyl-2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethanamine has a molecular weight of 223.36 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethanamine is sourced from PubChem (CID 143935670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).