ethane;(E)-N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hex-5-en-1-amine;molecular hydrogen

C18H35NO — CID 143806682

IUPACethane;(E)-N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hex-5-en-1-amine;molecular hydrogen
SMILESCC.CCNCCCC/C=C/C1=C(OC)CCC(C)=C1.[H][H]
InChIInChI=1S/C16H27NO.C2H6.H2/c1-4-17-12-8-6-5-7-9-15-13-14(2)10-11-16(15)18-3;1-2;/h7,9,13,17H,4-6,8,10-12H2,1-3H3;1-2H3;1H/b9-7+;;
InChIKeyJKRBTGIYBILTKI-OJYIHNBOSA-N
MW281.48 g/mol
LogP5.24
Rot. Bonds8

About ethane;(E)-N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hex-5-en-1-amine;molecular hydrogen

ethane;(E)-N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hex-5-en-1-amine;molecular hydrogen (PubChem CID 143806682) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is ethane;(E)-N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hex-5-en-1-amine;molecular hydrogen.

Molecular Properties

Compound Nameethane;(E)-N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hex-5-en-1-amine;molecular hydrogen
PubChem CID143806682
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Nameethane;(E)-N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hex-5-en-1-amine;molecular hydrogen
SMILESCC.CCNCCCC/C=C/C1=C(OC)CCC(C)=C1.[H][H]
InChIInChI=1S/C16H27NO.C2H6.H2/c1-4-17-12-8-6-5-7-9-15-13-14(2)10-11-16(15)18-3;1-2;/h7,9,13,17H,4-6,8,10-12H2,1-3H3;1-2H3;1H/b9-7+;;
InChIKeyJKRBTGIYBILTKI-OJYIHNBOSA-N
XLogP5.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.48
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(E)-N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hex-5-en-1-amine;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 123146933
1,4-cyclohexadiene-1-ethanamine, 5-methoxy-N-methyl-
CID 637853
N-[2-(4-methoxycyclohexa-1,3-dien-1-yl)ethyl]propan-2-amine
CID 121257797
3-ethyl-6-methoxy-N-(5-methylhex-5-enyl)hepta-3,5-dien-1-amine
CID 123331927
1-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 123390807
(3Z,5Z,7E,9Z)-N-[(2E,3Z,5E)-3-ethyl-2-ethylidene-6-methoxyhepta-3,5-dienyl]-5,6,7,10-tetramethyldodeca-1,3,5,7,9-pentaen-2-amine
CID 134268359
2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 142187162
4-[(2Z,4E)-5-methoxyhepta-2,4-dien-4-yl]piperidine
CID 142254546
ethane;4-[(3E,5E)-6-methoxyhexa-1,3,5-trien-3-yl]-1,2,3,6-tetrahydropyridine
CID 142929004
ethane;N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hexan-1-amine;molecular hydrogen
CID 143806748
3,5-Dimethylpiperidine;ethane;5-fluoro-1-methoxy-7-methylcyclohepta-1,3-diene
CID 144347266
2-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 144387401

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hex-5-en-1-amine;molecular hydrogen?
The IUPAC name of ethane;(E)-N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hex-5-en-1-amine;molecular hydrogen (CID 143806682) is ethane;(E)-N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hex-5-en-1-amine;molecular hydrogen.
What is the SMILES notation for ethane;(E)-N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hex-5-en-1-amine;molecular hydrogen?
The canonical SMILES for ethane;(E)-N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hex-5-en-1-amine;molecular hydrogen is CC.CCNCCCC/C=C/C1=C(OC)CCC(C)=C1.[H][H].
What is the InChIKey of ethane;(E)-N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hex-5-en-1-amine;molecular hydrogen?
The InChIKey is JKRBTGIYBILTKI-OJYIHNBOSA-N. The full InChI is InChI=1S/C16H27NO.C2H6.H2/c1-4-17-12-8-6-5-7-9-15-13-14(2)10-11-16(15)18-3;1-2;/h7,9,13,17H,4-6,8,10-12H2,1-3H3;1-2H3;1H/b9-7+;;.
What are the key properties of ethane;(E)-N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hex-5-en-1-amine;molecular hydrogen?
ethane;(E)-N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hex-5-en-1-amine;molecular hydrogen has a molecular weight of 281.48 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hex-5-en-1-amine;molecular hydrogen is sourced from PubChem (CID 143806682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).