N',N'-di(propan-2-yl)-N-quinazolin-2-ylethane-1,2-diamine

C16H24N4 — CID 114788824

IUPACN',N'-di(propan-2-yl)-N-quinazolin-2-ylethane-1,2-diamine
SMILESCC(C)N(CCNc1ncc2ccccc2n1)C(C)C
InChIInChI=1S/C16H24N4/c1-12(2)20(13(3)4)10-9-17-16-18-11-14-7-5-6-8-15(14)19-16/h5-8,11-13H,9-10H2,1-4H3,(H,17,18,19)
InChIKeyZQHBIGRJIJLYHJ-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.16
Rot. Bonds6

About N',N'-di(propan-2-yl)-N-quinazolin-2-ylethane-1,2-diamine

N',N'-di(propan-2-yl)-N-quinazolin-2-ylethane-1,2-diamine (PubChem CID 114788824) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N',N'-di(propan-2-yl)-N-quinazolin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-di(propan-2-yl)-N-quinazolin-2-ylethane-1,2-diamine
PubChem CID114788824
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN',N'-di(propan-2-yl)-N-quinazolin-2-ylethane-1,2-diamine
SMILESCC(C)N(CCNc1ncc2ccccc2n1)C(C)C
InChIInChI=1S/C16H24N4/c1-12(2)20(13(3)4)10-9-17-16-18-11-14-7-5-6-8-15(14)19-16/h5-8,11-13H,9-10H2,1-4H3,(H,17,18,19)
InChIKeyZQHBIGRJIJLYHJ-UHFFFAOYSA-N
XLogP3.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-quinazolin-2-ylethane-1,2-diamine
CID 114788771
1-(quinazolin-2-ylamino)propan-2-ol
CID 114788870
N'-(2-methoxyethyl)-N'-methyl-N-quinazolin-2-ylethane-1,2-diamine
CID 114789069
N-(4-propan-2-yloxybutyl)quinazolin-2-amine
CID 106012372
N-(2-phenylpropyl)quinazolin-2-amine
CID 114789270
N-[(4-propan-2-ylphenyl)methyl]quinazolin-2-amine
CID 114789025
N-propan-2-yl-2-(quinazolin-2-ylamino)acetamide
CID 114788884
4-[(quinazolin-2-ylamino)methyl]phenol
CID 114789330
N-(2,3-dimethoxypropyl)quinazolin-2-amine
CID 114100734
N-(3-butoxypropyl)quinazolin-2-amine
CID 114789297
N-(2-cyclobutylethyl)quinazolin-2-amine
CID 114789293
3-(quinazolin-2-ylamino)propane-1,2-diol
CID 114789175

Frequently Asked Questions

What is the IUPAC name of N',N'-di(propan-2-yl)-N-quinazolin-2-ylethane-1,2-diamine?
The IUPAC name of N',N'-di(propan-2-yl)-N-quinazolin-2-ylethane-1,2-diamine (CID 114788824) is N',N'-di(propan-2-yl)-N-quinazolin-2-ylethane-1,2-diamine.
What is the SMILES notation for N',N'-di(propan-2-yl)-N-quinazolin-2-ylethane-1,2-diamine?
The canonical SMILES for N',N'-di(propan-2-yl)-N-quinazolin-2-ylethane-1,2-diamine is CC(C)N(CCNc1ncc2ccccc2n1)C(C)C.
What is the InChIKey of N',N'-di(propan-2-yl)-N-quinazolin-2-ylethane-1,2-diamine?
The InChIKey is ZQHBIGRJIJLYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-12(2)20(13(3)4)10-9-17-16-18-11-14-7-5-6-8-15(14)19-16/h5-8,11-13H,9-10H2,1-4H3,(H,17,18,19).
What are the key properties of N',N'-di(propan-2-yl)-N-quinazolin-2-ylethane-1,2-diamine?
N',N'-di(propan-2-yl)-N-quinazolin-2-ylethane-1,2-diamine has a molecular weight of 272.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-di(propan-2-yl)-N-quinazolin-2-ylethane-1,2-diamine is sourced from PubChem (CID 114788824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).