N-[2-(4,5-dimethoxy-3-methylcyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine

C15H27NO2 — CID 134402328

IUPACN-[2-(4,5-dimethoxy-3-methylcyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine
SMILESCOC1=CC(CCNC(C)(C)C)=CC(C)C1OC
InChIInChI=1S/C15H27NO2/c1-11-9-12(7-8-16-15(2,3)4)10-13(17-5)14(11)18-6/h9-11,14,16H,7-8H2,1-6H3
InChIKeyFFFOGCMNUNOXNV-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.89
Rot. Bonds5

About N-[2-(4,5-dimethoxy-3-methylcyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine

N-[2-(4,5-dimethoxy-3-methylcyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 134402328) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[2-(4,5-dimethoxy-3-methylcyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(4,5-dimethoxy-3-methylcyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine
PubChem CID134402328
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-[2-(4,5-dimethoxy-3-methylcyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine
SMILESCOC1=CC(CCNC(C)(C)C)=CC(C)C1OC
InChIInChI=1S/C15H27NO2/c1-11-9-12(7-8-16-15(2,3)4)10-13(17-5)14(11)18-6/h9-11,14,16H,7-8H2,1-6H3
InChIKeyFFFOGCMNUNOXNV-UHFFFAOYSA-N
XLogP2.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethoxy-3-methylcyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(4,5-dimethoxy-3-methylcyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine (CID 134402328) is N-[2-(4,5-dimethoxy-3-methylcyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(4,5-dimethoxy-3-methylcyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(4,5-dimethoxy-3-methylcyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine is COC1=CC(CCNC(C)(C)C)=CC(C)C1OC.
What is the InChIKey of N-[2-(4,5-dimethoxy-3-methylcyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is FFFOGCMNUNOXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11-9-12(7-8-16-15(2,3)4)10-13(17-5)14(11)18-6/h9-11,14,16H,7-8H2,1-6H3.
What are the key properties of N-[2-(4,5-dimethoxy-3-methylcyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine?
N-[2-(4,5-dimethoxy-3-methylcyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethoxy-3-methylcyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 134402328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).