3-ethyl-1-N-quinazolin-4-ylpentane-1,2-diamine

C15H22N4 — CID 106286875

IUPAC3-ethyl-1-N-quinazolin-4-ylpentane-1,2-diamine
SMILESCCC(CC)C(N)CNc1ncnc2ccccc12
InChIInChI=1S/C15H22N4/c1-3-11(4-2)13(16)9-17-15-12-7-5-6-8-14(12)18-10-19-15/h5-8,10-11,13H,3-4,9,16H2,1-2H3,(H,17,18,19)
InChIKeyKOANBPSYLUXMCE-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.81
Rot. Bonds6

About 3-ethyl-1-N-quinazolin-4-ylpentane-1,2-diamine

3-ethyl-1-N-quinazolin-4-ylpentane-1,2-diamine (PubChem CID 106286875) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-ethyl-1-N-quinazolin-4-ylpentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-1-N-quinazolin-4-ylpentane-1,2-diamine
PubChem CID106286875
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name3-ethyl-1-N-quinazolin-4-ylpentane-1,2-diamine
SMILESCCC(CC)C(N)CNc1ncnc2ccccc12
InChIInChI=1S/C15H22N4/c1-3-11(4-2)13(16)9-17-15-12-7-5-6-8-14(12)18-10-19-15/h5-8,10-11,13H,3-4,9,16H2,1-2H3,(H,17,18,19)
InChIKeyKOANBPSYLUXMCE-UHFFFAOYSA-N
XLogP2.81
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(quinazolin-4-ylamino)methyl]butanoic acid
CID 65226835
3-methyl-1-(quinazolin-4-ylamino)butan-2-ol
CID 113240545
3-methyl-4-(quinazolin-4-ylamino)butan-1-ol
CID 66106208
(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol
CID 93317181
1-(4-aminophenyl)-2-(quinazolin-4-ylamino)ethanol
CID 60894016
(1R)-1-(2-fluorophenyl)-2-(quinazolin-4-ylamino)ethanol
CID 94817432
N-ethylquinazolin-4-amine;fluorobenzene
CID 174725840
3-ethyl-1-N-(3-methylquinolin-2-yl)pentane-1,2-diamine
CID 106287148
2-methyl-1-(quinazolin-4-ylamino)pentan-2-ol
CID 113234742
N-[2-(4-phenylphenoxy)propyl]quinazolin-4-amine
CID 20545319
N-[2-(2-chlorophenoxy)propyl]quinazolin-4-amine
CID 12928989
N-(2-phenoxy-2-phenylethyl)quinazolin-4-amine
CID 121380379

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-N-quinazolin-4-ylpentane-1,2-diamine?
The IUPAC name of 3-ethyl-1-N-quinazolin-4-ylpentane-1,2-diamine (CID 106286875) is 3-ethyl-1-N-quinazolin-4-ylpentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-1-N-quinazolin-4-ylpentane-1,2-diamine?
The canonical SMILES for 3-ethyl-1-N-quinazolin-4-ylpentane-1,2-diamine is CCC(CC)C(N)CNc1ncnc2ccccc12.
What is the InChIKey of 3-ethyl-1-N-quinazolin-4-ylpentane-1,2-diamine?
The InChIKey is KOANBPSYLUXMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-3-11(4-2)13(16)9-17-15-12-7-5-6-8-14(12)18-10-19-15/h5-8,10-11,13H,3-4,9,16H2,1-2H3,(H,17,18,19).
What are the key properties of 3-ethyl-1-N-quinazolin-4-ylpentane-1,2-diamine?
3-ethyl-1-N-quinazolin-4-ylpentane-1,2-diamine has a molecular weight of 258.37 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-N-quinazolin-4-ylpentane-1,2-diamine is sourced from PubChem (CID 106286875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).