N-(2-methoxy-4,4-dimethylpent-1-en-3-yl)-3-methylaniline

C15H23NO — CID 123502088

IUPACN-(2-methoxy-4,4-dimethylpent-1-en-3-yl)-3-methylaniline
SMILESC=C(OC)C(Nc1cccc(C)c1)C(C)(C)C
InChIInChI=1S/C15H23NO/c1-11-8-7-9-13(10-11)16-14(12(2)17-6)15(3,4)5/h7-10,14,16H,2H2,1,3-6H3
InChIKeyFXZHOMAVXUMIOF-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.98
Rot. Bonds4

About N-(2-methoxy-4,4-dimethylpent-1-en-3-yl)-3-methylaniline

N-(2-methoxy-4,4-dimethylpent-1-en-3-yl)-3-methylaniline (PubChem CID 123502088) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-(2-methoxy-4,4-dimethylpent-1-en-3-yl)-3-methylaniline.

Molecular Properties

Compound NameN-(2-methoxy-4,4-dimethylpent-1-en-3-yl)-3-methylaniline
PubChem CID123502088
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-(2-methoxy-4,4-dimethylpent-1-en-3-yl)-3-methylaniline
SMILESC=C(OC)C(Nc1cccc(C)c1)C(C)(C)C
InChIInChI=1S/C15H23NO/c1-11-8-7-9-13(10-11)16-14(12(2)17-6)15(3,4)5/h7-10,14,16H,2H2,1,3-6H3
InChIKeyFXZHOMAVXUMIOF-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4,4-dimethylpent-1-en-3-yl)-3-methylaniline?
The IUPAC name of N-(2-methoxy-4,4-dimethylpent-1-en-3-yl)-3-methylaniline (CID 123502088) is N-(2-methoxy-4,4-dimethylpent-1-en-3-yl)-3-methylaniline.
What is the SMILES notation for N-(2-methoxy-4,4-dimethylpent-1-en-3-yl)-3-methylaniline?
The canonical SMILES for N-(2-methoxy-4,4-dimethylpent-1-en-3-yl)-3-methylaniline is C=C(OC)C(Nc1cccc(C)c1)C(C)(C)C.
What is the InChIKey of N-(2-methoxy-4,4-dimethylpent-1-en-3-yl)-3-methylaniline?
The InChIKey is FXZHOMAVXUMIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-8-7-9-13(10-11)16-14(12(2)17-6)15(3,4)5/h7-10,14,16H,2H2,1,3-6H3.
What are the key properties of N-(2-methoxy-4,4-dimethylpent-1-en-3-yl)-3-methylaniline?
N-(2-methoxy-4,4-dimethylpent-1-en-3-yl)-3-methylaniline has a molecular weight of 233.35 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4,4-dimethylpent-1-en-3-yl)-3-methylaniline is sourced from PubChem (CID 123502088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).