2-methyl-3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide

C15H20N4 — CID 79235329

IUPAC2-methyl-3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)Cc1ccnc2ccccc12
InChIInChI=1S/C15H20N4/c1-11(15(16)17)9-19(2)10-12-7-8-18-14-6-4-3-5-13(12)14/h3-8,11H,9-10H2,1-2H3,(H3,16,17)
InChIKeyRRMFQPBPOOICFS-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.24
Rot. Bonds5

About 2-methyl-3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide

2-methyl-3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide (PubChem CID 79235329) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide.

Molecular Properties

Compound Name2-methyl-3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide
PubChem CID79235329
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-methyl-3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)Cc1ccnc2ccccc12
InChIInChI=1S/C15H20N4/c1-11(15(16)17)9-19(2)10-12-7-8-18-14-6-4-3-5-13(12)14/h3-8,11H,9-10H2,1-2H3,(H3,16,17)
InChIKeyRRMFQPBPOOICFS-UHFFFAOYSA-N
XLogP2.24
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.24
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

3-[ethyl(quinolin-4-ylmethyl)amino]-2-methylpropanimidamide
CID 79234991
2-methyl-3-[methyl(quinolin-4-yl)amino]propanimidamide
CID 54991600
3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide
CID 79234905
2-chloro-N-methyl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 79240214
4-[methyl(quinolin-4-ylmethyl)amino]butan-2-ol
CID 115883104
3-[(3-chlorophenyl)methyl-methylamino]-2-methylpropanimidamide
CID 61417021
N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)ethane-1,2-diamine
CID 79234831
N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)propane-1,3-diamine
CID 79235712
2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propanimidamide
CID 63774361
2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid
CID 65063950
3-[[2-hydroxypropyl(methyl)amino]methyl]pyridine-2-carboximidamide
CID 62895415
4-[[methyl(quinolin-4-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 28642233

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide?
The IUPAC name of 2-methyl-3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide (CID 79235329) is 2-methyl-3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide.
What is the SMILES notation for 2-methyl-3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide?
The canonical SMILES for 2-methyl-3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide is [H]/N=C(\N)C(C)CN(C)Cc1ccnc2ccccc12.
What is the InChIKey of 2-methyl-3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide?
The InChIKey is RRMFQPBPOOICFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11(15(16)17)9-19(2)10-12-7-8-18-14-6-4-3-5-13(12)14/h3-8,11H,9-10H2,1-2H3,(H3,16,17).
What are the key properties of 2-methyl-3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide?
2-methyl-3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide has a molecular weight of 256.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide is sourced from PubChem (CID 79235329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).