N'-(2-methylpropyl)-N-(quinoxalin-5-ylmethyl)propane-1,3-diamine

C16H24N4 — CID 104614269

IUPACN'-(2-methylpropyl)-N-(quinoxalin-5-ylmethyl)propane-1,3-diamine
SMILESCC(C)CNCCCNCc1cccc2nccnc12
InChIInChI=1S/C16H24N4/c1-13(2)11-17-7-4-8-18-12-14-5-3-6-15-16(14)20-10-9-19-15/h3,5-6,9-10,13,17-18H,4,7-8,11-12H2,1-2H3
InChIKeyMKZVNCWHCIBDBY-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.36
Rot. Bonds8

About N'-(2-methylpropyl)-N-(quinoxalin-5-ylmethyl)propane-1,3-diamine

N'-(2-methylpropyl)-N-(quinoxalin-5-ylmethyl)propane-1,3-diamine (PubChem CID 104614269) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N'-(2-methylpropyl)-N-(quinoxalin-5-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methylpropyl)-N-(quinoxalin-5-ylmethyl)propane-1,3-diamine
PubChem CID104614269
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN'-(2-methylpropyl)-N-(quinoxalin-5-ylmethyl)propane-1,3-diamine
SMILESCC(C)CNCCCNCc1cccc2nccnc12
InChIInChI=1S/C16H24N4/c1-13(2)11-17-7-4-8-18-12-14-5-3-6-15-16(14)20-10-9-19-15/h3,5-6,9-10,13,17-18H,4,7-8,11-12H2,1-2H3
InChIKeyMKZVNCWHCIBDBY-UHFFFAOYSA-N
XLogP2.36
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(quinoxalin-5-ylmethyl)propan-1-amine
CID 104614216
N'-(quinoxalin-5-ylmethyl)ethane-1,2-diamine
CID 104614230
3-pyrrolidin-1-yl-N-(quinoxalin-5-ylmethyl)propan-1-amine
CID 104614273
N-(quinoxalin-5-ylmethyl)butan-2-amine
CID 104614226
2,2,2-trifluoro-N-(quinoxalin-5-ylmethyl)ethanamine
CID 113433192
2-(quinoxalin-5-ylmethylamino)propan-1-ol
CID 104614241
N-(quinolin-8-ylmethyl)butan-1-amine
CID 28613793
N,N-dimethyl-3-quinoxalin-5-ylpropan-1-amine
CID 170865869
N-(3-isoquinolin-5-ylpropyl)-2-methylpropan-1-amine
CID 64505408
N-(quinoxalin-5-ylmethyl)cyclopentanamine
CID 104614218
N-(quinoxalin-5-ylmethyl)cycloheptanamine
CID 104614220
3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine
CID 81435594

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)-N-(quinoxalin-5-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-(2-methylpropyl)-N-(quinoxalin-5-ylmethyl)propane-1,3-diamine (CID 104614269) is N'-(2-methylpropyl)-N-(quinoxalin-5-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-methylpropyl)-N-(quinoxalin-5-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-methylpropyl)-N-(quinoxalin-5-ylmethyl)propane-1,3-diamine is CC(C)CNCCCNCc1cccc2nccnc12.
What is the InChIKey of N'-(2-methylpropyl)-N-(quinoxalin-5-ylmethyl)propane-1,3-diamine?
The InChIKey is MKZVNCWHCIBDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-13(2)11-17-7-4-8-18-12-14-5-3-6-15-16(14)20-10-9-19-15/h3,5-6,9-10,13,17-18H,4,7-8,11-12H2,1-2H3.
What are the key properties of N'-(2-methylpropyl)-N-(quinoxalin-5-ylmethyl)propane-1,3-diamine?
N'-(2-methylpropyl)-N-(quinoxalin-5-ylmethyl)propane-1,3-diamine has a molecular weight of 272.40 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-N-(quinoxalin-5-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 104614269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).