N'-cinnolin-4-yl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine

C15H22N4 — CID 63587139

IUPACN'-cinnolin-4-yl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNCCN(C)c1cnnc2ccccc12
InChIInChI=1S/C15H22N4/c1-12(2)10-16-8-9-19(3)15-11-17-18-14-7-5-4-6-13(14)15/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyMUAFESYNGPNMRQ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.31
Rot. Bonds6

About N'-cinnolin-4-yl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine

N'-cinnolin-4-yl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 63587139) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N'-cinnolin-4-yl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cinnolin-4-yl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID63587139
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN'-cinnolin-4-yl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNCCN(C)c1cnnc2ccccc12
InChIInChI=1S/C15H22N4/c1-12(2)10-16-8-9-19(3)15-11-17-18-14-7-5-4-6-13(14)15/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyMUAFESYNGPNMRQ-UHFFFAOYSA-N
XLogP2.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.31
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'-cinnolin-4-yl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-cinnolin-4-yl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine (CID 63587139) is N'-cinnolin-4-yl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cinnolin-4-yl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-cinnolin-4-yl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine is CC(C)CNCCN(C)c1cnnc2ccccc12.
What is the InChIKey of N'-cinnolin-4-yl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is MUAFESYNGPNMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-12(2)10-16-8-9-19(3)15-11-17-18-14-7-5-4-6-13(14)15/h4-7,11-12,16H,8-10H2,1-3H3.
What are the key properties of N'-cinnolin-4-yl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
N'-cinnolin-4-yl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 258.37 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cinnolin-4-yl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 63587139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).