4-N-(2,4,4-trimethylpentan-2-yl)quinoline-4,7-diamine

C17H25N3 — CID 103000881

IUPAC4-N-(2,4,4-trimethylpentan-2-yl)quinoline-4,7-diamine
SMILESCC(C)(C)CC(C)(C)Nc1ccnc2cc(N)ccc12
InChIInChI=1S/C17H25N3/c1-16(2,3)11-17(4,5)20-14-8-9-19-15-10-12(18)6-7-13(14)15/h6-10H,11,18H2,1-5H3,(H,19,20)
InChIKeyUIGSQHQDJZHCDM-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.44
Rot. Bonds3

About 4-N-(2,4,4-trimethylpentan-2-yl)quinoline-4,7-diamine

4-N-(2,4,4-trimethylpentan-2-yl)quinoline-4,7-diamine (PubChem CID 103000881) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 4-N-(2,4,4-trimethylpentan-2-yl)quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(2,4,4-trimethylpentan-2-yl)quinoline-4,7-diamine
PubChem CID103000881
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name4-N-(2,4,4-trimethylpentan-2-yl)quinoline-4,7-diamine
SMILESCC(C)(C)CC(C)(C)Nc1ccnc2cc(N)ccc12
InChIInChI=1S/C17H25N3/c1-16(2,3)11-17(4,5)20-14-8-9-19-15-10-12(18)6-7-13(14)15/h6-10H,11,18H2,1-5H3,(H,19,20)
InChIKeyUIGSQHQDJZHCDM-UHFFFAOYSA-N
XLogP4.44
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(7-aminoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 103001581
4-N-[2-(dimethylamino)propyl]quinoline-4,7-diamine
CID 103000943
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine
CID 103001451
7-chloro-N-(1-chloro-2-methylpropan-2-yl)quinolin-4-amine
CID 65027745
4-N-but-3-enylquinoline-4,7-diamine
CID 103001772
4-N-[2-[ethyl(methyl)amino]ethyl]quinoline-4,7-diamine
CID 103001063
4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine
CID 103001147
4-N-[(3-ethylthiophen-2-yl)methyl]quinoline-4,7-diamine
CID 103001503
N-(2-methyl-1-phenylpropan-2-yl)quinolin-4-amine
CID 70112703
4-N-(2-ethoxyphenyl)quinoline-4,7-diamine
CID 103000246
4-N-(2-cyclohexylethyl)quinoline-4,7-diamine
CID 103000540
4-N-(3-butoxypropyl)quinoline-4,7-diamine
CID 103001799

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4,4-trimethylpentan-2-yl)quinoline-4,7-diamine?
The IUPAC name of 4-N-(2,4,4-trimethylpentan-2-yl)quinoline-4,7-diamine (CID 103000881) is 4-N-(2,4,4-trimethylpentan-2-yl)quinoline-4,7-diamine.
What is the SMILES notation for 4-N-(2,4,4-trimethylpentan-2-yl)quinoline-4,7-diamine?
The canonical SMILES for 4-N-(2,4,4-trimethylpentan-2-yl)quinoline-4,7-diamine is CC(C)(C)CC(C)(C)Nc1ccnc2cc(N)ccc12.
What is the InChIKey of 4-N-(2,4,4-trimethylpentan-2-yl)quinoline-4,7-diamine?
The InChIKey is UIGSQHQDJZHCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-16(2,3)11-17(4,5)20-14-8-9-19-15-10-12(18)6-7-13(14)15/h6-10H,11,18H2,1-5H3,(H,19,20).
What are the key properties of 4-N-(2,4,4-trimethylpentan-2-yl)quinoline-4,7-diamine?
4-N-(2,4,4-trimethylpentan-2-yl)quinoline-4,7-diamine has a molecular weight of 271.41 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4,4-trimethylpentan-2-yl)quinoline-4,7-diamine is sourced from PubChem (CID 103000881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).