3-[ethyl(quinolin-4-ylmethyl)amino]-2-methylpropanimidamide

C16H22N4 — CID 79234991

IUPAC3-[ethyl(quinolin-4-ylmethyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)Cc1ccnc2ccccc12
InChIInChI=1S/C16H22N4/c1-3-20(10-12(2)16(17)18)11-13-8-9-19-15-7-5-4-6-14(13)15/h4-9,12H,3,10-11H2,1-2H3,(H3,17,18)
InChIKeyJXNXVSJWVJQGSU-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.63
Rot. Bonds6

About 3-[ethyl(quinolin-4-ylmethyl)amino]-2-methylpropanimidamide

3-[ethyl(quinolin-4-ylmethyl)amino]-2-methylpropanimidamide (PubChem CID 79234991) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[ethyl(quinolin-4-ylmethyl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl(quinolin-4-ylmethyl)amino]-2-methylpropanimidamide
PubChem CID79234991
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-[ethyl(quinolin-4-ylmethyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)Cc1ccnc2ccccc12
InChIInChI=1S/C16H22N4/c1-3-20(10-12(2)16(17)18)11-13-8-9-19-15-7-5-4-6-14(13)15/h4-9,12H,3,10-11H2,1-2H3,(H3,17,18)
InChIKeyJXNXVSJWVJQGSU-UHFFFAOYSA-N
XLogP2.63
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.63
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
2-methyl-3-[methyl(quinolin-4-yl)amino]propanimidamide
CID 54991600
2-bromo-N-ethyl-N-(quinolin-4-ylmethyl)ethanamine
CID 80680315
3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide
CID 79234905
3-[(5-bromo-2-fluorophenyl)methyl-ethylamino]-2-methylpropanimidamide
CID 54988565
N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)ethane-1,2-diamine
CID 79234831
3-[(2-bromo-4-fluorophenyl)methyl-ethylamino]-2-methylpropanimidamide
CID 54988566
2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid
CID 65063950
N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)propane-1,3-diamine
CID 79235712
3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanimidamide
CID 114788799
3-[ethyl-(4-methylpyrimidin-2-yl)amino]-2-methylpropanimidamide
CID 62959803
2-chloro-N-methyl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 79240214

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(quinolin-4-ylmethyl)amino]-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl(quinolin-4-ylmethyl)amino]-2-methylpropanimidamide (CID 79234991) is 3-[ethyl(quinolin-4-ylmethyl)amino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl(quinolin-4-ylmethyl)amino]-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl(quinolin-4-ylmethyl)amino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(CC)Cc1ccnc2ccccc12.
What is the InChIKey of 3-[ethyl(quinolin-4-ylmethyl)amino]-2-methylpropanimidamide?
The InChIKey is JXNXVSJWVJQGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-3-20(10-12(2)16(17)18)11-13-8-9-19-15-7-5-4-6-14(13)15/h4-9,12H,3,10-11H2,1-2H3,(H3,17,18).
What are the key properties of 3-[ethyl(quinolin-4-ylmethyl)amino]-2-methylpropanimidamide?
3-[ethyl(quinolin-4-ylmethyl)amino]-2-methylpropanimidamide has a molecular weight of 270.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(quinolin-4-ylmethyl)amino]-2-methylpropanimidamide is sourced from PubChem (CID 79234991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).