4-[butan-2-yl(methyl)amino]quinoline-3-carboximidamide

C15H20N4 — CID 43669816

IUPAC4-[butan-2-yl(methyl)amino]quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc2ccccc2c1N(C)C(C)CC
InChIInChI=1S/C15H20N4/c1-4-10(2)19(3)14-11-7-5-6-8-13(11)18-9-12(14)15(16)17/h5-10H,4H2,1-3H3,(H3,16,17)
InChIKeyKYFFBEKSEAKHMF-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.75
Rot. Bonds4

About 4-[butan-2-yl(methyl)amino]quinoline-3-carboximidamide

4-[butan-2-yl(methyl)amino]quinoline-3-carboximidamide (PubChem CID 43669816) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[butan-2-yl(methyl)amino]quinoline-3-carboximidamide.

Molecular Properties

Compound Name4-[butan-2-yl(methyl)amino]quinoline-3-carboximidamide
PubChem CID43669816
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-[butan-2-yl(methyl)amino]quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc2ccccc2c1N(C)C(C)CC
InChIInChI=1S/C15H20N4/c1-4-10(2)19(3)14-11-7-5-6-8-13(11)18-9-12(14)15(16)17/h5-10H,4H2,1-3H3,(H3,16,17)
InChIKeyKYFFBEKSEAKHMF-UHFFFAOYSA-N
XLogP2.75
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[butan-2-yl(methyl)amino]-N'-hydroxyquinoline-3-carboximidamide
CID 43669797
4-[methyl(pentyl)amino]quinoline-3-carboximidamide
CID 43669819
4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide
CID 63694201
4-[butyl(cyclopropyl)amino]quinoline-3-carboximidamide
CID 61441744
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]quinoline-3-carboximidamide
CID 107480189
N'-hydroxy-4-[methyl(1-methylsulfanylpropan-2-yl)amino]quinoline-3-carboximidamide
CID 115985950
4-[2-(diethylamino)ethoxy]quinoline-3-carboximidamide
CID 61104595
2-[(3-carbamoylquinolin-4-yl)-methylamino]propanoic acid
CID 62637373
4-[methyl(2-methylbutyl)amino]quinoline-3-carbothioamide
CID 43669646
4-[1-cyanopropan-2-yl(methyl)amino]quinoline-3-carboxylic acid
CID 63228175
4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 61339360
4-[ethyl(propan-2-yl)amino]quinoline-3-carbothioamide
CID 43669634

Frequently Asked Questions

What is the IUPAC name of 4-[butan-2-yl(methyl)amino]quinoline-3-carboximidamide?
The IUPAC name of 4-[butan-2-yl(methyl)amino]quinoline-3-carboximidamide (CID 43669816) is 4-[butan-2-yl(methyl)amino]quinoline-3-carboximidamide.
What is the SMILES notation for 4-[butan-2-yl(methyl)amino]quinoline-3-carboximidamide?
The canonical SMILES for 4-[butan-2-yl(methyl)amino]quinoline-3-carboximidamide is [H]/N=C(\N)c1cnc2ccccc2c1N(C)C(C)CC.
What is the InChIKey of 4-[butan-2-yl(methyl)amino]quinoline-3-carboximidamide?
The InChIKey is KYFFBEKSEAKHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-4-10(2)19(3)14-11-7-5-6-8-13(11)18-9-12(14)15(16)17/h5-10H,4H2,1-3H3,(H3,16,17).
What are the key properties of 4-[butan-2-yl(methyl)amino]quinoline-3-carboximidamide?
4-[butan-2-yl(methyl)amino]quinoline-3-carboximidamide has a molecular weight of 256.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butan-2-yl(methyl)amino]quinoline-3-carboximidamide is sourced from PubChem (CID 43669816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).