8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine

C17H24N4 — CID 43375606

IUPAC8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine
SMILESCN1CCC(N(C)Cc2ccc(N)c3cccnc23)CC1
InChIInChI=1S/C17H24N4/c1-20-10-7-14(8-11-20)21(2)12-13-5-6-16(18)15-4-3-9-19-17(13)15/h3-6,9,14H,7-8,10-12,18H2,1-2H3
InChIKeyIHBCVDDYDCUVRK-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.34
Rot. Bonds3

About 8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine

8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine (PubChem CID 43375606) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine.

Molecular Properties

Compound Name8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine
PubChem CID43375606
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine
SMILESCN1CCC(N(C)Cc2ccc(N)c3cccnc23)CC1
InChIInChI=1S/C17H24N4/c1-20-10-7-14(8-11-20)21(2)12-13-5-6-16(18)15-4-3-9-19-17(13)15/h3-6,9,14H,7-8,10-12,18H2,1-2H3
InChIKeyIHBCVDDYDCUVRK-UHFFFAOYSA-N
XLogP2.34
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.34
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

8-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-5-amine
CID 43585624
8-[[methoxy(methyl)amino]methyl]quinolin-5-amine
CID 43627608
8-[[benzyl(methyl)amino]methyl]quinolin-5-amine
CID 43375712
1-[(5-aminoquinolin-8-yl)methyl-methylamino]propan-2-ol
CID 62334736
8-[(4-methylpiperidin-1-yl)methyl]quinolin-5-amine
CID 43375420
3-[(5-aminoquinolin-8-yl)methyl-cyclobutylamino]propan-1-ol
CID 102859911
8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]quinolin-5-amine
CID 43588221
4-[(5-aminoquinolin-8-yl)methyl-methylamino]phenol
CID 107733762
N-ethyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-2-amine
CID 55075358
N-[(5-chloroquinolin-8-yl)methyl]-N-methylazepan-4-amine
CID 104979426
N-[(2-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 43382206
8-[(dibutylamino)methyl]quinolin-5-amine
CID 43375839

Frequently Asked Questions

What is the IUPAC name of 8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine?
The IUPAC name of 8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine (CID 43375606) is 8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine.
What is the SMILES notation for 8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine?
The canonical SMILES for 8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine is CN1CCC(N(C)Cc2ccc(N)c3cccnc23)CC1.
What is the InChIKey of 8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine?
The InChIKey is IHBCVDDYDCUVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-20-10-7-14(8-11-20)21(2)12-13-5-6-16(18)15-4-3-9-19-17(13)15/h3-6,9,14H,7-8,10-12,18H2,1-2H3.
What are the key properties of 8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine?
8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine has a molecular weight of 284.41 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine is sourced from PubChem (CID 43375606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).