N-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine

C10H17NO — CID 123770200

IUPACN-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine
SMILESCNCCOC1=CCCC(C)=C1
InChIInChI=1S/C10H17NO/c1-9-4-3-5-10(8-9)12-7-6-11-2/h5,8,11H,3-4,6-7H2,1-2H3
InChIKeyZLTJCKAQLJEXRV-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.85
Rot. Bonds4

About N-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine

N-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine (PubChem CID 123770200) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine.

Molecular Properties

Compound NameN-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine
PubChem CID123770200
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine
SMILESCNCCOC1=CCCC(C)=C1
InChIInChI=1S/C10H17NO/c1-9-4-3-5-10(8-9)12-7-6-11-2/h5,8,11H,3-4,6-7H2,1-2H3
InChIKeyZLTJCKAQLJEXRV-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
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
4-[2-(Methylamino)ethoxy]cyclohexa-2,4-dien-1-amine
CID 68200157
3-[(2Z,4E)-3-methylhepta-2,4-dien-4-yl]oxyazetidine
CID 88614288
2-[1-(2-methoxycyclohexa-1,5-dien-1-yl)ethoxy]-N-methylethanamine
CID 89688709
N-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethanamine
CID 123439096
2-[(1S)-cyclohexa-2,4-dien-1-yl]oxy-N-methylethanamine
CID 132159304
5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine
CID 139397113
2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-methylprop-2-en-1-amine
CID 141865827
N-[2-[2-(2-cyclohexa-1,5-dien-1-yloxyethoxy)ethoxy]ethyl]propan-1-amine
CID 141880851
2-(4-ethylcyclohepta-2,4,6-trien-1-yl)oxy-N-methylethanamine
CID 142068009
2-(4-ethoxycyclohepta-1,3,5,6-tetraen-1-yl)-N-methylethanamine
CID 142206565
ethane;2-[(2E,4Z)-5-ethenylocta-2,4-dien-3-yl]oxyethanamine
CID 142389497

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine?
The IUPAC name of N-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine (CID 123770200) is N-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine.
What is the SMILES notation for N-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine?
The canonical SMILES for N-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine is CNCCOC1=CCCC(C)=C1.
What is the InChIKey of N-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine?
The InChIKey is ZLTJCKAQLJEXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9-4-3-5-10(8-9)12-7-6-11-2/h5,8,11H,3-4,6-7H2,1-2H3.
What are the key properties of N-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine?
N-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine has a molecular weight of 167.25 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine is sourced from PubChem (CID 123770200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).