4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,8-diamine

C17H23N3 — CID 83060905

IUPAC4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,8-diamine
SMILESCC1(C)C(CNc2ccnc3c(N)cccc23)C1(C)C
InChIInChI=1S/C17H23N3/c1-16(2)14(17(16,3)4)10-20-13-8-9-19-15-11(13)6-5-7-12(15)18/h5-9,14H,10,18H2,1-4H3,(H,19,20)
InChIKeyXMKXRDKPKCLZCH-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.91
Rot. Bonds3

About 4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,8-diamine

4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,8-diamine (PubChem CID 83060905) 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-4,8-diamine.

Molecular Properties

Compound Name4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,8-diamine
PubChem CID83060905
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,8-diamine
SMILESCC1(C)C(CNc2ccnc3c(N)cccc23)C1(C)C
InChIInChI=1S/C17H23N3/c1-16(2)14(17(16,3)4)10-20-13-8-9-19-15-11(13)6-5-7-12(15)18/h5-9,14H,10,18H2,1-4H3,(H,19,20)
InChIKeyXMKXRDKPKCLZCH-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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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,8-diamine?
The IUPAC name of 4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,8-diamine (CID 83060905) is 4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,8-diamine.
What is the SMILES notation for 4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,8-diamine?
The canonical SMILES for 4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,8-diamine is CC1(C)C(CNc2ccnc3c(N)cccc23)C1(C)C.
What is the InChIKey of 4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,8-diamine?
The InChIKey is XMKXRDKPKCLZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-16(2)14(17(16,3)4)10-20-13-8-9-19-15-11(13)6-5-7-12(15)18/h5-9,14H,10,18H2,1-4H3,(H,19,20).
What are the key properties of 4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,8-diamine?
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,8-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-4,8-diamine is sourced from PubChem (CID 83060905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).