N-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethanamine

C10H17NO — CID 123439096

IUPACN-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethanamine
SMILESCNCCOC1C=CC(C)=CC1
InChIInChI=1S/C10H17NO/c1-9-3-5-10(6-4-9)12-8-7-11-2/h3-5,10-11H,6-8H2,1-2H3
InChIKeyMEGMJDJCDYECLE-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.50
Rot. Bonds4

About N-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethanamine

N-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethanamine (PubChem CID 123439096) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethanamine
PubChem CID123439096
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethanamine
SMILESCNCCOC1C=CC(C)=CC1
InChIInChI=1S/C10H17NO/c1-9-3-5-10(6-4-9)12-8-7-11-2/h3-5,10-11H,6-8H2,1-2H3
InChIKeyMEGMJDJCDYECLE-UHFFFAOYSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.50
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

(5S)-5-ethoxy-2-methylcyclohexa-1,3-diene
CID 89420040
2-ethyl-1-fluoro-4-(4-methylcyclohexa-2,4-dien-1-yl)oxybenzene
CID 135217148
2-[4-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanol
CID 173470509
5-iodo-2-methylcyclohexa-1,3-diene
CID 70252237
[4-(4-methylcyclohexa-2,4-dien-1-yl)oxycyclohexa-1,5-dien-1-yl]oxybenzene
CID 163764485
4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxy-N-oxidocyclohexan-1-amine
CID 163896200
[(1R)-4,7-dimethylcyclohepta-2,4-dien-1-yl]hydrazine
CID 163777490
[4-(4-methylcyclohexa-2,4-dien-1-yl)oxycyclohexa-1,5-dien-1-yl]oxybenzene;1-(4-methylcyclohexa-2,4-dien-1-yl)oxy-4-(phenoxy)benzene;osmium(2+)
CID 163764483
2-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylethanamine
CID 130246395
N-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine
CID 155181808
4-[2-(methylamino)ethoxymethyl]azetidin-2-one
CID 167468670
2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxy-N-methylethanamine
CID 167000951

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethanamine?
The IUPAC name of N-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethanamine (CID 123439096) is N-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethanamine.
What is the SMILES notation for N-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethanamine?
The canonical SMILES for N-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethanamine is CNCCOC1C=CC(C)=CC1.
What is the InChIKey of N-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethanamine?
The InChIKey is MEGMJDJCDYECLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9-3-5-10(6-4-9)12-8-7-11-2/h3-5,10-11H,6-8H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethanamine?
N-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethanamine has a molecular weight of 167.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethanamine is sourced from PubChem (CID 123439096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).