4-(2-amino-2-methylpropyl)-N,N-dimethylaniline

C12H20N2 — CID 3043620

IUPAC4-(2-amino-2-methylpropyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(CC(C)(C)N)cc1
InChIInChI=1S/C12H20N2/c1-12(2,13)9-10-5-7-11(8-6-10)14(3)4/h5-8H,9,13H2,1-4H3
InChIKeySLWRLIARNTYBCX-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.03
Rot. Bonds3

About 4-(2-amino-2-methylpropyl)-N,N-dimethylaniline

4-(2-amino-2-methylpropyl)-N,N-dimethylaniline (PubChem CID 3043620) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(2-amino-2-methylpropyl)-N,N-dimethylaniline
PubChem CID3043620
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-(2-amino-2-methylpropyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(CC(C)(C)N)cc1
InChIInChI=1S/C12H20N2/c1-12(2,13)9-10-5-7-11(8-6-10)14(3)4/h5-8H,9,13H2,1-4H3
InChIKeySLWRLIARNTYBCX-UHFFFAOYSA-N
XLogP2.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropyl)-N,N-dimethylaniline?
The IUPAC name of 4-(2-amino-2-methylpropyl)-N,N-dimethylaniline (CID 3043620) is 4-(2-amino-2-methylpropyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(2-amino-2-methylpropyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(2-amino-2-methylpropyl)-N,N-dimethylaniline is CN(C)c1ccc(CC(C)(C)N)cc1.
What is the InChIKey of 4-(2-amino-2-methylpropyl)-N,N-dimethylaniline?
The InChIKey is SLWRLIARNTYBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-12(2,13)9-10-5-7-11(8-6-10)14(3)4/h5-8H,9,13H2,1-4H3.
What are the key properties of 4-(2-amino-2-methylpropyl)-N,N-dimethylaniline?
4-(2-amino-2-methylpropyl)-N,N-dimethylaniline has a molecular weight of 192.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpropyl)-N,N-dimethylaniline is sourced from PubChem (CID 3043620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).