ethane;ethene;1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine

C15H31NO — CID 144547153

IUPACethane;ethene;1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine
SMILESC=C.CC.CC.CNCC1=C(OC)CCC=C1
InChIInChI=1S/C9H15NO.2C2H6.C2H4/c1-10-7-8-5-3-4-6-9(8)11-2;3*1-2/h3,5,10H,4,6-7H2,1-2H3;2*1-2H3;1-2H2
InChIKeyAFDMOUZONRDITR-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.31
Rot. Bonds3

About ethane;ethene;1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine

ethane;ethene;1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine (PubChem CID 144547153) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is ethane;ethene;1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Nameethane;ethene;1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine
PubChem CID144547153
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Nameethane;ethene;1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine
SMILESC=C.CC.CC.CNCC1=C(OC)CCC=C1
InChIInChI=1S/C9H15NO.2C2H6.C2H4/c1-10-7-8-5-3-4-6-9(8)11-2;3*1-2/h3,5,10H,4,6-7H2,1-2H3;2*1-2H3;1-2H2
InChIKeyAFDMOUZONRDITR-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]-2-methoxybut-2-en-1-amine
CID 143135335
(5-Methoxycyclohexa-1,5-dien-1-yl)methanamine
CID 18407338
(2E)-6-(1,2-dihydropyridin-6-yloxy)-2-methylhepta-2,6-dien-1-amine
CID 70334325
1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 70543022
(3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 88576747
4,5-bis[(E)-2-methoxyethenyl]-1,2,3,6-tetrahydropyridine
CID 89122699
1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 89688710
1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylethanamine
CID 89688747
1-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 123390807
3-methoxy-N-methyl-2-prop-1-en-2-ylbut-2-en-1-amine
CID 123395406
2-methoxy-N,4-dimethylcyclohexa-2,4-dien-1-amine
CID 137427644
(Z)-N-ethenylbut-2-en-1-amine;1-methoxy-4-methylcyclohexa-1,3-diene
CID 141874258

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine?
The IUPAC name of ethane;ethene;1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine (CID 144547153) is ethane;ethene;1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine.
What is the SMILES notation for ethane;ethene;1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine?
The canonical SMILES for ethane;ethene;1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine is C=C.CC.CC.CNCC1=C(OC)CCC=C1.
What is the InChIKey of ethane;ethene;1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine?
The InChIKey is AFDMOUZONRDITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.2C2H6.C2H4/c1-10-7-8-5-3-4-6-9(8)11-2;3*1-2/h3,5,10H,4,6-7H2,1-2H3;2*1-2H3;1-2H2.
What are the key properties of ethane;ethene;1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine?
ethane;ethene;1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine has a molecular weight of 241.42 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine is sourced from PubChem (CID 144547153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).