3-(methoxymethyl)-2-methylcyclohexa-2,4-dien-1-amine

C9H15NO — CID 88985054

IUPAC3-(methoxymethyl)-2-methylcyclohexa-2,4-dien-1-amine
SMILESCOCC1=C(C)C(N)CC=C1
InChIInChI=1S/C9H15NO/c1-7-8(6-11-2)4-3-5-9(7)10/h3-4,9H,5-6,10H2,1-2H3
InChIKeyUMLCOUQURBRDAC-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.24
Rot. Bonds2

About 3-(methoxymethyl)-2-methylcyclohexa-2,4-dien-1-amine

3-(methoxymethyl)-2-methylcyclohexa-2,4-dien-1-amine (PubChem CID 88985054) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-(methoxymethyl)-2-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name3-(methoxymethyl)-2-methylcyclohexa-2,4-dien-1-amine
PubChem CID88985054
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-(methoxymethyl)-2-methylcyclohexa-2,4-dien-1-amine
SMILESCOCC1=C(C)C(N)CC=C1
InChIInChI=1S/C9H15NO/c1-7-8(6-11-2)4-3-5-9(7)10/h3-4,9H,5-6,10H2,1-2H3
InChIKeyUMLCOUQURBRDAC-UHFFFAOYSA-N
XLogP1.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 3-(methoxymethyl)-2-methylcyclohexa-2,4-dien-1-amine (CID 88985054) is 3-(methoxymethyl)-2-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 3-(methoxymethyl)-2-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 3-(methoxymethyl)-2-methylcyclohexa-2,4-dien-1-amine is COCC1=C(C)C(N)CC=C1.
What is the InChIKey of 3-(methoxymethyl)-2-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is UMLCOUQURBRDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-8(6-11-2)4-3-5-9(7)10/h3-4,9H,5-6,10H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-2-methylcyclohexa-2,4-dien-1-amine?
3-(methoxymethyl)-2-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 153.22 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 88985054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).