4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide

C16H23N5 — CID 63694201

IUPAC4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc2ccccc2c1N(C)CCCN(C)C
InChIInChI=1S/C16H23N5/c1-20(2)9-6-10-21(3)15-12-7-4-5-8-14(12)19-11-13(15)16(17)18/h4-5,7-8,11H,6,9-10H2,1-3H3,(H3,17,18)
InChIKeyWDIIHHPTJVOCAF-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.91
Rot. Bonds6

About 4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide

4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide (PubChem CID 63694201) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide
PubChem CID63694201
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc2ccccc2c1N(C)CCCN(C)C
InChIInChI=1S/C16H23N5/c1-20(2)9-6-10-21(3)15-12-7-4-5-8-14(12)19-11-13(15)16(17)18/h4-5,7-8,11H,6,9-10H2,1-3H3,(H3,17,18)
InChIKeyWDIIHHPTJVOCAF-UHFFFAOYSA-N
XLogP1.91
TPSA69.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[methyl(pentyl)amino]quinoline-3-carboximidamide
CID 43669819
4-[butan-2-yl(methyl)amino]quinoline-3-carboximidamide
CID 43669816
4-[butyl(cyclopropyl)amino]quinoline-3-carboximidamide
CID 61441744
4-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxyquinoline-3-carboximidamide
CID 77017337
4-[3-aminopropyl(methyl)amino]quinoline-3-carboxamide
CID 115319371
2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63694371
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]quinoline-3-carboximidamide
CID 107480189
4-[5-hydroxypentyl(methyl)amino]quinoline-3-carboxylic acid
CID 107200323
4-[2-(diethylamino)ethoxy]quinoline-3-carboximidamide
CID 61104595
4-[3-(dimethylamino)propoxy]quinoline-3-carbothioamide
CID 61104811
2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid
CID 43669305
3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]propan-1-ol
CID 114230085

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide?
The IUPAC name of 4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide (CID 63694201) is 4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide.
What is the SMILES notation for 4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide?
The canonical SMILES for 4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide is [H]/N=C(\N)c1cnc2ccccc2c1N(C)CCCN(C)C.
What is the InChIKey of 4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide?
The InChIKey is WDIIHHPTJVOCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-20(2)9-6-10-21(3)15-12-7-4-5-8-14(12)19-11-13(15)16(17)18/h4-5,7-8,11H,6,9-10H2,1-3H3,(H3,17,18).
What are the key properties of 4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide?
4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide has a molecular weight of 285.39 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide is sourced from PubChem (CID 63694201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).