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

C18H37NO — CID 143806748

IUPACethane;N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hexan-1-amine;molecular hydrogen
SMILESCC.CCNCCCCCCC1=C(OC)CCC(C)=C1.[H][H]
InChIInChI=1S/C16H29NO.C2H6.H2/c1-4-17-12-8-6-5-7-9-15-13-14(2)10-11-16(15)18-3;1-2;/h13,17H,4-12H2,1-3H3;1-2H3;1H
InChIKeySTLPZSLSJFHWIU-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.46
Rot. Bonds9

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

ethane;N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hexan-1-amine;molecular hydrogen (PubChem CID 143806748) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is ethane;N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hexan-1-amine;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hexan-1-amine;molecular hydrogen
PubChem CID143806748
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Nameethane;N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hexan-1-amine;molecular hydrogen
SMILESCC.CCNCCCCCCC1=C(OC)CCC(C)=C1.[H][H]
InChIInChI=1S/C16H29NO.C2H6.H2/c1-4-17-12-8-6-5-7-9-15-13-14(2)10-11-16(15)18-3;1-2;/h13,17H,4-12H2,1-3H3;1-2H3;1H
InChIKeySTLPZSLSJFHWIU-UHFFFAOYSA-N
XLogP5.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Related Compounds

2-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 123146933
1-Methoxy-4-(3-n-propylamino)propyl-1,4-cyclohexadiene
CID 13650421
N-propyl-6-methoxy-1,2,3,5-tetrahydro-2-naphthylamine
CID 20456202
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
ethane;(2Z)-2-methoxy-N-[(2-methylcyclohexen-1-yl)methyl]penta-2,4-dien-1-amine
CID 141803433
2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 142187162
4-(4-Methoxycyclohexa-1,3-dien-1-yl)butan-1-amine
CID 142229938
ethane;(E)-N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hex-5-en-1-amine;molecular hydrogen
CID 143806682
3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbut-3-en-1-amine
CID 145385143
4-cyclopropyl-N-[2-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)ethyl]butan-1-amine
CID 147568445
N-[(E)-4-methoxy-3-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)but-3-en-2-yl]octan-1-amine
CID 148996587

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hexan-1-amine;molecular hydrogen?
The IUPAC name of ethane;N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hexan-1-amine;molecular hydrogen (CID 143806748) is ethane;N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hexan-1-amine;molecular hydrogen.
What is the SMILES notation for ethane;N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hexan-1-amine;molecular hydrogen?
The canonical SMILES for ethane;N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hexan-1-amine;molecular hydrogen is CC.CCNCCCCCCC1=C(OC)CCC(C)=C1.[H][H].
What is the InChIKey of ethane;N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hexan-1-amine;molecular hydrogen?
The InChIKey is STLPZSLSJFHWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO.C2H6.H2/c1-4-17-12-8-6-5-7-9-15-13-14(2)10-11-16(15)18-3;1-2;/h13,17H,4-12H2,1-3H3;1-2H3;1H.
What are the key properties of ethane;N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hexan-1-amine;molecular hydrogen?
ethane;N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hexan-1-amine;molecular hydrogen has a molecular weight of 283.50 g/mol, XLogP of 5.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hexan-1-amine;molecular hydrogen is sourced from PubChem (CID 143806748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).