6-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-methylquinoline-5,6-diamine

C17H24N4 — CID 105414166

IUPAC6-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-methylquinoline-5,6-diamine
SMILESCN(CC1(N(C)C)CCC1)c1ccc2ncccc2c1N
InChIInChI=1S/C17H24N4/c1-20(2)17(9-5-10-17)12-21(3)15-8-7-14-13(16(15)18)6-4-11-19-14/h4,6-8,11H,5,9-10,12,18H2,1-3H3
InChIKeyCEPMPNZWPDPUFK-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.74
Rot. Bonds4

About 6-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-methylquinoline-5,6-diamine

6-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-methylquinoline-5,6-diamine (PubChem CID 105414166) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 6-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-methylquinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-methylquinoline-5,6-diamine
PubChem CID105414166
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name6-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-methylquinoline-5,6-diamine
SMILESCN(CC1(N(C)C)CCC1)c1ccc2ncccc2c1N
InChIInChI=1S/C17H24N4/c1-20(2)17(9-5-10-17)12-21(3)15-8-7-14-13(16(15)18)6-4-11-19-14/h4,6-8,11H,5,9-10,12,18H2,1-3H3
InChIKeyCEPMPNZWPDPUFK-UHFFFAOYSA-N
XLogP2.74
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-aminoquinolin-6-yl)-methylamino]-N,N-dimethylacetamide
CID 43809689
6-N-methyl-6-N-[(4-methylphenyl)methyl]quinoline-5,6-diamine
CID 43809516
2-[(5-aminoquinolin-6-yl)-methylamino]cyclohexan-1-ol
CID 102631412
6-N-[(4-bromophenyl)methyl]-6-N-methylquinoline-5,6-diamine
CID 61415486
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methylpyridine-3,4-diamine
CID 105414086
6-N-methoxy-6-N-methylquinoline-5,6-diamine
CID 43809762
6-N-methyl-6-N-propan-2-ylquinoline-5,6-diamine
CID 43809487
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,4-dimethylbenzene-1,2-diamine
CID 105414177
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridin-3-amine
CID 105421264
6-N-methyl-6-N-(3-methylbutan-2-yl)quinoline-5,6-diamine
CID 43809730
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-iodo-1-N-methylbenzene-1,2-diamine
CID 105414091
6-N-methyl-6-N-(4-methylpentan-2-yl)quinoline-5,6-diamine
CID 55001292

Frequently Asked Questions

What is the IUPAC name of 6-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-methylquinoline-5,6-diamine?
The IUPAC name of 6-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-methylquinoline-5,6-diamine (CID 105414166) is 6-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-methylquinoline-5,6-diamine.
What is the SMILES notation for 6-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-methylquinoline-5,6-diamine?
The canonical SMILES for 6-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-methylquinoline-5,6-diamine is CN(CC1(N(C)C)CCC1)c1ccc2ncccc2c1N.
What is the InChIKey of 6-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-methylquinoline-5,6-diamine?
The InChIKey is CEPMPNZWPDPUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-20(2)17(9-5-10-17)12-21(3)15-8-7-14-13(16(15)18)6-4-11-19-14/h4,6-8,11H,5,9-10,12,18H2,1-3H3.
What are the key properties of 6-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-methylquinoline-5,6-diamine?
6-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-methylquinoline-5,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-methylquinoline-5,6-diamine is sourced from PubChem (CID 105414166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).