N',N'-diethyl-N-(2-hydrazinylquinazolin-4-yl)propane-1,3-diamine

C15H24N6 — CID 80938208

IUPACN',N'-diethyl-N-(2-hydrazinylquinazolin-4-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNc1nc(NN)nc2ccccc12
InChIInChI=1S/C15H24N6/c1-3-21(4-2)11-7-10-17-14-12-8-5-6-9-13(12)18-15(19-14)20-16/h5-6,8-9H,3-4,7,10-11,16H2,1-2H3,(H2,17,18,19,20)
InChIKeySJRPVKMUDTWVSN-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.06
Rot. Bonds8

About N',N'-diethyl-N-(2-hydrazinylquinazolin-4-yl)propane-1,3-diamine

N',N'-diethyl-N-(2-hydrazinylquinazolin-4-yl)propane-1,3-diamine (PubChem CID 80938208) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is N',N'-diethyl-N-(2-hydrazinylquinazolin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(2-hydrazinylquinazolin-4-yl)propane-1,3-diamine
PubChem CID80938208
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC NameN',N'-diethyl-N-(2-hydrazinylquinazolin-4-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNc1nc(NN)nc2ccccc12
InChIInChI=1S/C15H24N6/c1-3-21(4-2)11-7-10-17-14-12-8-5-6-9-13(12)18-15(19-14)20-16/h5-6,8-9H,3-4,7,10-11,16H2,1-2H3,(H2,17,18,19,20)
InChIKeySJRPVKMUDTWVSN-UHFFFAOYSA-N
XLogP2.06
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2-hydrazinylquinazolin-4-yl)amino]butan-1-ol
CID 106847076
1-N,1-N-diethyl-2-N-(2-hydrazinylquinazolin-4-yl)propane-1,2-diamine
CID 80902005
N',N'-diethyl-N-quinolino[4,3-b]quinoxalin-6-ylpropane-1,3-diamine
CID 134130331
N',N'-diethyl-N-[2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]propane-1,3-diamine
CID 121453105
2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]quinazoline-2,4-diamine
CID 12703241
N',N'-diethyl-N-[2-(4-nitrophenyl)quinazolin-4-yl]propane-1,3-diamine;hydrochloride
CID 2792715
N,N-diethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylethanamine
CID 80930019
N-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride
CID 21412321
4-[(2-hydrazinylquinazolin-4-yl)amino]-3-methylbutan-1-ol
CID 80922127
N-butan-2-yl-2-hydrazinylquinazolin-4-amine
CID 80932741
2-hydrazinyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 66572559
N-(2,3-dimethylbutyl)-2-hydrazinylquinazolin-4-amine
CID 80917863

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(2-hydrazinylquinazolin-4-yl)propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-(2-hydrazinylquinazolin-4-yl)propane-1,3-diamine (CID 80938208) is N',N'-diethyl-N-(2-hydrazinylquinazolin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-(2-hydrazinylquinazolin-4-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-(2-hydrazinylquinazolin-4-yl)propane-1,3-diamine is CCN(CC)CCCNc1nc(NN)nc2ccccc12.
What is the InChIKey of N',N'-diethyl-N-(2-hydrazinylquinazolin-4-yl)propane-1,3-diamine?
The InChIKey is SJRPVKMUDTWVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-3-21(4-2)11-7-10-17-14-12-8-5-6-9-13(12)18-15(19-14)20-16/h5-6,8-9H,3-4,7,10-11,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of N',N'-diethyl-N-(2-hydrazinylquinazolin-4-yl)propane-1,3-diamine?
N',N'-diethyl-N-(2-hydrazinylquinazolin-4-yl)propane-1,3-diamine has a molecular weight of 288.40 g/mol, XLogP of 2.06, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(2-hydrazinylquinazolin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 80938208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).