azane;5-cyclooctylquinazoline-2,4-diamine

C16H25N5 — CID 66924197

IUPACazane;5-cyclooctylquinazoline-2,4-diamine
SMILESN.Nc1nc(N)c2c(C3CCCCCCC3)cccc2n1
InChIInChI=1S/C16H22N4.H3N/c17-15-14-12(11-7-4-2-1-3-5-8-11)9-6-10-13(14)19-16(18)20-15;/h6,9-11H,1-5,7-8H2,(H4,17,18,19,20);1H3
InChIKeyQWBNYMKSZJYDBM-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.78
Rot. Bonds1

About azane;5-cyclooctylquinazoline-2,4-diamine

azane;5-cyclooctylquinazoline-2,4-diamine (PubChem CID 66924197) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is azane;5-cyclooctylquinazoline-2,4-diamine.

Molecular Properties

Compound Nameazane;5-cyclooctylquinazoline-2,4-diamine
PubChem CID66924197
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Nameazane;5-cyclooctylquinazoline-2,4-diamine
SMILESN.Nc1nc(N)c2c(C3CCCCCCC3)cccc2n1
InChIInChI=1S/C16H22N4.H3N/c17-15-14-12(11-7-4-2-1-3-5-8-11)9-6-10-13(14)19-16(18)20-15;/h6,9-11H,1-5,7-8H2,(H4,17,18,19,20);1H3
InChIKeyQWBNYMKSZJYDBM-UHFFFAOYSA-N
XLogP3.78
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-Aminoquinazoline
CID 84759
2,4-Diaminoquinazoline
CID 65087
1-(4-Methylquinazolin-2-yl)guanidine
CID 345657
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
2,4-Diamino-6-nitroquinazoline
CID 252163
2,4,6-Triaminoquinazoline
CID 292661
N-(4,8-dimethylquinazolin-2-yl)guanidine
CID 2849032
Quinazoline, 2,4-diamino-5-methyl-(7CI,8CI)
CID 198062
4-Methyl-2-quinazolinamine
CID 269325
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905

Frequently Asked Questions

What is the IUPAC name of azane;5-cyclooctylquinazoline-2,4-diamine?
The IUPAC name of azane;5-cyclooctylquinazoline-2,4-diamine (CID 66924197) is azane;5-cyclooctylquinazoline-2,4-diamine.
What is the SMILES notation for azane;5-cyclooctylquinazoline-2,4-diamine?
The canonical SMILES for azane;5-cyclooctylquinazoline-2,4-diamine is N.Nc1nc(N)c2c(C3CCCCCCC3)cccc2n1.
What is the InChIKey of azane;5-cyclooctylquinazoline-2,4-diamine?
The InChIKey is QWBNYMKSZJYDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4.H3N/c17-15-14-12(11-7-4-2-1-3-5-8-11)9-6-10-13(14)19-16(18)20-15;/h6,9-11H,1-5,7-8H2,(H4,17,18,19,20);1H3.
What are the key properties of azane;5-cyclooctylquinazoline-2,4-diamine?
azane;5-cyclooctylquinazoline-2,4-diamine has a molecular weight of 287.41 g/mol, XLogP of 3.78, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5-cyclooctylquinazoline-2,4-diamine is sourced from PubChem (CID 66924197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).