N-[(2-methoxy-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-methylpropan-2-amine

C13H23NO — CID 146554140

IUPACN-[(2-methoxy-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-methylpropan-2-amine
SMILESCOC1=C(CNC(C)(C)C)C=CCC1C
InChIInChI=1S/C13H23NO/c1-10-7-6-8-11(12(10)15-5)9-14-13(2,3)4/h6,8,10,14H,7,9H2,1-5H3
InChIKeyRXCCEJLPANTSJL-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.87
Rot. Bonds3

About N-[(2-methoxy-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-methylpropan-2-amine

N-[(2-methoxy-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-methylpropan-2-amine (PubChem CID 146554140) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[(2-methoxy-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-methoxy-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-methylpropan-2-amine
PubChem CID146554140
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[(2-methoxy-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-methylpropan-2-amine
SMILESCOC1=C(CNC(C)(C)C)C=CCC1C
InChIInChI=1S/C13H23NO/c1-10-7-6-8-11(12(10)15-5)9-14-13(2,3)4/h6,8,10,14H,7,9H2,1-5H3
InChIKeyRXCCEJLPANTSJL-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-methoxy-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2-methoxy-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-methylpropan-2-amine (CID 146554140) is N-[(2-methoxy-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2-methoxy-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2-methoxy-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-methylpropan-2-amine is COC1=C(CNC(C)(C)C)C=CCC1C.
What is the InChIKey of N-[(2-methoxy-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is RXCCEJLPANTSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10-7-6-8-11(12(10)15-5)9-14-13(2,3)4/h6,8,10,14H,7,9H2,1-5H3.
What are the key properties of N-[(2-methoxy-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-methylpropan-2-amine?
N-[(2-methoxy-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 209.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 146554140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).