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

C14H18N4 — CID 79234905

IUPAC3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)Cc1ccnc2ccccc12
InChIInChI=1S/C14H18N4/c1-18(9-7-14(15)16)10-11-6-8-17-13-5-3-2-4-12(11)13/h2-6,8H,7,9-10H2,1H3,(H3,15,16)
InChIKeyQNWREYIEQYIPFN-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.99
Rot. Bonds5

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

3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide (PubChem CID 79234905) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide
PubChem CID79234905
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)Cc1ccnc2ccccc12
InChIInChI=1S/C14H18N4/c1-18(9-7-14(15)16)10-11-6-8-17-13-5-3-2-4-12(11)13/h2-6,8H,7,9-10H2,1H3,(H3,15,16)
InChIKeyQNWREYIEQYIPFN-UHFFFAOYSA-N
XLogP1.99
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.99
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

2-methyl-3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide
CID 79235329
4-[methyl(quinolin-4-ylmethyl)amino]butan-2-ol
CID 115883104
3-[(2,3-difluorophenyl)methyl-methylamino]propanimidamide
CID 43658900
3-[ethyl(quinolin-4-ylmethyl)amino]-2-methylpropanimidamide
CID 79234991
2-chloro-N-methyl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 79240214
3-[(2,5-dichlorophenyl)methyl-methylamino]propanimidamide
CID 65317630
2-methyl-3-[methyl(quinolin-4-yl)amino]propanimidamide
CID 54991600
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide
CID 63013799
3-[(5-bromoisoquinolin-1-yl)-methylamino]propanimidamide
CID 106537064
4-[[methyl(quinolin-4-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 28642233
N-methyl-2-pyrrol-1-yl-N-(quinolin-4-ylmethyl)propanamide
CID 56863740
4-[amino(quinolin-4-ylmethyl)amino]-4-oxobutanoic acid
CID 174299546

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide?
The IUPAC name of 3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide (CID 79234905) is 3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide.
What is the SMILES notation for 3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide?
The canonical SMILES for 3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide is [H]/N=C(\N)CCN(C)Cc1ccnc2ccccc12.
What is the InChIKey of 3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide?
The InChIKey is QNWREYIEQYIPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-18(9-7-14(15)16)10-11-6-8-17-13-5-3-2-4-12(11)13/h2-6,8H,7,9-10H2,1H3,(H3,15,16).
What are the key properties of 3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide?
3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide has a molecular weight of 242.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide is sourced from PubChem (CID 79234905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).