4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine

C17H23N3 — CID 103001451

IUPAC4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine
SMILESCC1(C)C(CNc2ccnc3cc(N)ccc23)C1(C)C
InChIInChI=1S/C17H23N3/c1-16(2)15(17(16,3)4)10-20-13-7-8-19-14-9-11(18)5-6-12(13)14/h5-9,15H,10,18H2,1-4H3,(H,19,20)
InChIKeyFSRKJHKWGQFHQY-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.91
Rot. Bonds3

About 4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine

4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine (PubChem CID 103001451) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine
PubChem CID103001451
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine
SMILESCC1(C)C(CNc2ccnc3cc(N)ccc23)C1(C)C
InChIInChI=1S/C17H23N3/c1-16(2)15(17(16,3)4)10-20-13-7-8-19-14-9-11(18)5-6-12(13)14/h5-9,15H,10,18H2,1-4H3,(H,19,20)
InChIKeyFSRKJHKWGQFHQY-UHFFFAOYSA-N
XLogP3.91
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.91
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

4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine
CID 103001147
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinazoline-4,7-diamine
CID 79353456
4-N-[(2-methylcyclopentyl)methyl]quinoline-4,7-diamine
CID 107416668
4-N-(2,2-dimethylcyclopropyl)quinoline-4,7-diamine
CID 103000945
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,8-diamine
CID 83060905
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-(oxan-2-ylmethyl)quinoline-4,7-diamine
CID 103000863
4-N-(3-butoxypropyl)quinoline-4,7-diamine
CID 103001799
3-[[(7-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106120055
4-N-(2,4,4-trimethylpentan-2-yl)quinoline-4,7-diamine
CID 103000881
4-N-but-3-enylquinoline-4,7-diamine
CID 103001772

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine?
The IUPAC name of 4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine (CID 103001451) is 4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine.
What is the SMILES notation for 4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine?
The canonical SMILES for 4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine is CC1(C)C(CNc2ccnc3cc(N)ccc23)C1(C)C.
What is the InChIKey of 4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine?
The InChIKey is FSRKJHKWGQFHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-16(2)15(17(16,3)4)10-20-13-7-8-19-14-9-11(18)5-6-12(13)14/h5-9,15H,10,18H2,1-4H3,(H,19,20).
What are the key properties of 4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine?
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine has a molecular weight of 269.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine is sourced from PubChem (CID 103001451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).