N,2-dimethyl-4-prop-2-enylaniline

C11H15N — CID 12735195

IUPACN,2-dimethyl-4-prop-2-enylaniline
SMILESC=CCc1ccc(NC)c(C)c1
InChIInChI=1S/C11H15N/c1-4-5-10-6-7-11(12-3)9(2)8-10/h4,6-8,12H,1,5H2,2-3H3
InChIKeyJTIKQUJNZTWSSE-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.77
Rot. Bonds3

About N,2-dimethyl-4-prop-2-enylaniline

N,2-dimethyl-4-prop-2-enylaniline (PubChem CID 12735195) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N,2-dimethyl-4-prop-2-enylaniline.

Molecular Properties

Compound NameN,2-dimethyl-4-prop-2-enylaniline
PubChem CID12735195
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN,2-dimethyl-4-prop-2-enylaniline
SMILESC=CCc1ccc(NC)c(C)c1
InChIInChI=1S/C11H15N/c1-4-5-10-6-7-11(12-3)9(2)8-10/h4,6-8,12H,1,5H2,2-3H3
InChIKeyJTIKQUJNZTWSSE-UHFFFAOYSA-N
XLogP2.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-prop-2-enylaniline?
The IUPAC name of N,2-dimethyl-4-prop-2-enylaniline (CID 12735195) is N,2-dimethyl-4-prop-2-enylaniline.
What is the SMILES notation for N,2-dimethyl-4-prop-2-enylaniline?
The canonical SMILES for N,2-dimethyl-4-prop-2-enylaniline is C=CCc1ccc(NC)c(C)c1.
What is the InChIKey of N,2-dimethyl-4-prop-2-enylaniline?
The InChIKey is JTIKQUJNZTWSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-4-5-10-6-7-11(12-3)9(2)8-10/h4,6-8,12H,1,5H2,2-3H3.
What are the key properties of N,2-dimethyl-4-prop-2-enylaniline?
N,2-dimethyl-4-prop-2-enylaniline has a molecular weight of 161.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-prop-2-enylaniline is sourced from PubChem (CID 12735195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).