N,N,N'-trimethyl-N'-(3-phenylcinnolin-4-yl)ethane-1,2-diamine

C19H22N4 — CID 71355644

IUPACN,N,N'-trimethyl-N'-(3-phenylcinnolin-4-yl)ethane-1,2-diamine
SMILESCN(C)CCN(C)c1c(-c2ccccc2)nnc2ccccc12
InChIInChI=1S/C19H22N4/c1-22(2)13-14-23(3)19-16-11-7-8-12-17(16)20-21-18(19)15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3
InChIKeyLJQMHFNVEQKNMA-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.29
Rot. Bonds5

About N,N,N'-trimethyl-N'-(3-phenylcinnolin-4-yl)ethane-1,2-diamine

N,N,N'-trimethyl-N'-(3-phenylcinnolin-4-yl)ethane-1,2-diamine (PubChem CID 71355644) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-(3-phenylcinnolin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-(3-phenylcinnolin-4-yl)ethane-1,2-diamine
PubChem CID71355644
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC NameN,N,N'-trimethyl-N'-(3-phenylcinnolin-4-yl)ethane-1,2-diamine
SMILESCN(C)CCN(C)c1c(-c2ccccc2)nnc2ccccc12
InChIInChI=1S/C19H22N4/c1-22(2)13-14-23(3)19-16-11-7-8-12-17(16)20-21-18(19)15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3
InChIKeyLJQMHFNVEQKNMA-UHFFFAOYSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-(3-phenylcinnolin-4-yl)ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-(3-phenylcinnolin-4-yl)ethane-1,2-diamine (CID 71355644) is N,N,N'-trimethyl-N'-(3-phenylcinnolin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-(3-phenylcinnolin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-(3-phenylcinnolin-4-yl)ethane-1,2-diamine is CN(C)CCN(C)c1c(-c2ccccc2)nnc2ccccc12.
What is the InChIKey of N,N,N'-trimethyl-N'-(3-phenylcinnolin-4-yl)ethane-1,2-diamine?
The InChIKey is LJQMHFNVEQKNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-22(2)13-14-23(3)19-16-11-7-8-12-17(16)20-21-18(19)15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3.
What are the key properties of N,N,N'-trimethyl-N'-(3-phenylcinnolin-4-yl)ethane-1,2-diamine?
N,N,N'-trimethyl-N'-(3-phenylcinnolin-4-yl)ethane-1,2-diamine has a molecular weight of 306.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-(3-phenylcinnolin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 71355644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).