4-N-(cyclobutylmethyl)-4-N-ethyl-2-methylquinoline-4,6-diamine

C17H23N3 — CID 107397189

IUPAC4-N-(cyclobutylmethyl)-4-N-ethyl-2-methylquinoline-4,6-diamine
SMILESCCN(CC1CCC1)c1cc(C)nc2ccc(N)cc12
InChIInChI=1S/C17H23N3/c1-3-20(11-13-5-4-6-13)17-9-12(2)19-16-8-7-14(18)10-15(16)17/h7-10,13H,3-6,11,18H2,1-2H3
InChIKeyVFSAHOSTRHYCAK-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.75
Rot. Bonds4

About 4-N-(cyclobutylmethyl)-4-N-ethyl-2-methylquinoline-4,6-diamine

4-N-(cyclobutylmethyl)-4-N-ethyl-2-methylquinoline-4,6-diamine (PubChem CID 107397189) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-N-(cyclobutylmethyl)-4-N-ethyl-2-methylquinoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclobutylmethyl)-4-N-ethyl-2-methylquinoline-4,6-diamine
PubChem CID107397189
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-N-(cyclobutylmethyl)-4-N-ethyl-2-methylquinoline-4,6-diamine
SMILESCCN(CC1CCC1)c1cc(C)nc2ccc(N)cc12
InChIInChI=1S/C17H23N3/c1-3-20(11-13-5-4-6-13)17-9-12(2)19-16-8-7-14(18)10-15(16)17/h7-10,13H,3-6,11,18H2,1-2H3
InChIKeyVFSAHOSTRHYCAK-UHFFFAOYSA-N
XLogP3.75
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
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-(cyclobutylmethyl)-4-N-ethyl-2-methylquinoline-4,6-diamine?
The IUPAC name of 4-N-(cyclobutylmethyl)-4-N-ethyl-2-methylquinoline-4,6-diamine (CID 107397189) is 4-N-(cyclobutylmethyl)-4-N-ethyl-2-methylquinoline-4,6-diamine.
What is the SMILES notation for 4-N-(cyclobutylmethyl)-4-N-ethyl-2-methylquinoline-4,6-diamine?
The canonical SMILES for 4-N-(cyclobutylmethyl)-4-N-ethyl-2-methylquinoline-4,6-diamine is CCN(CC1CCC1)c1cc(C)nc2ccc(N)cc12.
What is the InChIKey of 4-N-(cyclobutylmethyl)-4-N-ethyl-2-methylquinoline-4,6-diamine?
The InChIKey is VFSAHOSTRHYCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-20(11-13-5-4-6-13)17-9-12(2)19-16-8-7-14(18)10-15(16)17/h7-10,13H,3-6,11,18H2,1-2H3.
What are the key properties of 4-N-(cyclobutylmethyl)-4-N-ethyl-2-methylquinoline-4,6-diamine?
4-N-(cyclobutylmethyl)-4-N-ethyl-2-methylquinoline-4,6-diamine has a molecular weight of 269.39 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclobutylmethyl)-4-N-ethyl-2-methylquinoline-4,6-diamine is sourced from PubChem (CID 107397189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).