N-ethyl-N'-methyl-N'-quinazolin-2-ylethane-1,2-diamine

C13H18N4 — CID 114789767

IUPACN-ethyl-N'-methyl-N'-quinazolin-2-ylethane-1,2-diamine
SMILESCCNCCN(C)c1ncc2ccccc2n1
InChIInChI=1S/C13H18N4/c1-3-14-8-9-17(2)13-15-10-11-6-4-5-7-12(11)16-13/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyHMUWYEUQGZQJFA-UHFFFAOYSA-N
MW230.32 g/mol
LogP1.68
Rot. Bonds5

About N-ethyl-N'-methyl-N'-quinazolin-2-ylethane-1,2-diamine

N-ethyl-N'-methyl-N'-quinazolin-2-ylethane-1,2-diamine (PubChem CID 114789767) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N'-quinazolin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N'-quinazolin-2-ylethane-1,2-diamine
PubChem CID114789767
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC NameN-ethyl-N'-methyl-N'-quinazolin-2-ylethane-1,2-diamine
SMILESCCNCCN(C)c1ncc2ccccc2n1
InChIInChI=1S/C13H18N4/c1-3-14-8-9-17(2)13-15-10-11-6-4-5-7-12(11)16-13/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyHMUWYEUQGZQJFA-UHFFFAOYSA-N
XLogP1.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N'-quinazolin-2-ylethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-methyl-N'-quinazolin-2-ylethane-1,2-diamine (CID 114789767) is N-ethyl-N'-methyl-N'-quinazolin-2-ylethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-N'-quinazolin-2-ylethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-methyl-N'-quinazolin-2-ylethane-1,2-diamine is CCNCCN(C)c1ncc2ccccc2n1.
What is the InChIKey of N-ethyl-N'-methyl-N'-quinazolin-2-ylethane-1,2-diamine?
The InChIKey is HMUWYEUQGZQJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-14-8-9-17(2)13-15-10-11-6-4-5-7-12(11)16-13/h4-7,10,14H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-N'-methyl-N'-quinazolin-2-ylethane-1,2-diamine?
N-ethyl-N'-methyl-N'-quinazolin-2-ylethane-1,2-diamine has a molecular weight of 230.32 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N'-quinazolin-2-ylethane-1,2-diamine is sourced from PubChem (CID 114789767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).