N,N,2,3,4,5,6-heptamethylaniline

C13H21N — CID 18327235

IUPACN,N,2,3,4,5,6-heptamethylaniline
SMILESCc1c(C)c(C)c(N(C)C)c(C)c1C
InChIInChI=1S/C13H21N/c1-8-9(2)11(4)13(14(6)7)12(5)10(8)3/h1-7H3
InChIKeyATGDSZDNPBRLNP-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.29
Rot. Bonds1

About N,N,2,3,4,5,6-heptamethylaniline

N,N,2,3,4,5,6-heptamethylaniline (PubChem CID 18327235) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N,N,2,3,4,5,6-heptamethylaniline.

Molecular Properties

Compound NameN,N,2,3,4,5,6-heptamethylaniline
PubChem CID18327235
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN,N,2,3,4,5,6-heptamethylaniline
SMILESCc1c(C)c(C)c(N(C)C)c(C)c1C
InChIInChI=1S/C13H21N/c1-8-9(2)11(4)13(14(6)7)12(5)10(8)3/h1-7H3
InChIKeyATGDSZDNPBRLNP-UHFFFAOYSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N,2,3,4,5,6-heptamethylaniline?
The IUPAC name of N,N,2,3,4,5,6-heptamethylaniline (CID 18327235) is N,N,2,3,4,5,6-heptamethylaniline.
What is the SMILES notation for N,N,2,3,4,5,6-heptamethylaniline?
The canonical SMILES for N,N,2,3,4,5,6-heptamethylaniline is Cc1c(C)c(C)c(N(C)C)c(C)c1C.
What is the InChIKey of N,N,2,3,4,5,6-heptamethylaniline?
The InChIKey is ATGDSZDNPBRLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-8-9(2)11(4)13(14(6)7)12(5)10(8)3/h1-7H3.
What are the key properties of N,N,2,3,4,5,6-heptamethylaniline?
N,N,2,3,4,5,6-heptamethylaniline has a molecular weight of 191.32 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,3,4,5,6-heptamethylaniline is sourced from PubChem (CID 18327235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).