N,N,3,4-tetramethylaniline

C10H15N — CID 12595466

IUPACN,N,3,4-tetramethylaniline
SMILESCc1ccc(N(C)C)cc1C
InChIInChI=1S/C10H15N/c1-8-5-6-10(11(3)4)7-9(8)2/h5-7H,1-4H3
InChIKeyLKNDYQNNDRTHFP-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.37
Rot. Bonds1

About N,N,3,4-tetramethylaniline

N,N,3,4-tetramethylaniline (PubChem CID 12595466) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N,N,3,4-tetramethylaniline.

Molecular Properties

Compound NameN,N,3,4-tetramethylaniline
PubChem CID12595466
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN,N,3,4-tetramethylaniline
SMILESCc1ccc(N(C)C)cc1C
InChIInChI=1S/C10H15N/c1-8-5-6-10(11(3)4)7-9(8)2/h5-7H,1-4H3
InChIKeyLKNDYQNNDRTHFP-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N,N,3,4-tetramethylaniline?
The IUPAC name of N,N,3,4-tetramethylaniline (CID 12595466) is N,N,3,4-tetramethylaniline.
What is the SMILES notation for N,N,3,4-tetramethylaniline?
The canonical SMILES for N,N,3,4-tetramethylaniline is Cc1ccc(N(C)C)cc1C.
What is the InChIKey of N,N,3,4-tetramethylaniline?
The InChIKey is LKNDYQNNDRTHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-8-5-6-10(11(3)4)7-9(8)2/h5-7H,1-4H3.
What are the key properties of N,N,3,4-tetramethylaniline?
N,N,3,4-tetramethylaniline has a molecular weight of 149.24 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,4-tetramethylaniline is sourced from PubChem (CID 12595466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).