N',4-dimethyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide

C19H27N5 — CID 111211199

IUPACN',4-dimethyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide
SMILESC/N=C(/NCCNc1ccc2ccccc2n1)N1CCC(C)CC1
InChIInChI=1S/C19H27N5/c1-15-9-13-24(14-10-15)19(20-2)22-12-11-21-18-8-7-16-5-3-4-6-17(16)23-18/h3-8,15H,9-14H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyILPRUIPDIIMSDO-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.95
Rot. Bonds4

About N',4-dimethyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide

N',4-dimethyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide (PubChem CID 111211199) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is N',4-dimethyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',4-dimethyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide
PubChem CID111211199
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC NameN',4-dimethyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide
SMILESC/N=C(/NCCNc1ccc2ccccc2n1)N1CCC(C)CC1
InChIInChI=1S/C19H27N5/c1-15-9-13-24(14-10-15)19(20-2)22-12-11-21-18-8-7-16-5-3-4-6-17(16)23-18/h3-8,15H,9-14H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyILPRUIPDIIMSDO-UHFFFAOYSA-N
XLogP2.95
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N'-methyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111959216
4-(2-hydroxyphenyl)-N'-methyl-N-[2-(quinolin-2-ylamino)ethyl]piperazine-1-carboximidamide
CID 111184690
4-(2-hydroxyphenyl)-N'-methyl-N-[2-(quinolin-2-ylamino)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111184689
2-methyl-1-(2-methylcyclopropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111961988
N',4-dimethyl-N-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111209976
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine
CID 111261939
N',4-dimethyl-N-(2-phenylethyl)piperidine-1-carboximidamide
CID 111211565
N',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide
CID 111210681
N-[3-(benzimidazol-1-yl)propyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211637
N-[2-(benzenesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211789
2-methyl-1-[2-(quinolin-2-ylamino)ethyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109471631
1-(1,1-dioxothiolan-3-yl)-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111141002

Frequently Asked Questions

What is the IUPAC name of N',4-dimethyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide?
The IUPAC name of N',4-dimethyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide (CID 111211199) is N',4-dimethyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for N',4-dimethyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide?
The canonical SMILES for N',4-dimethyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide is C/N=C(/NCCNc1ccc2ccccc2n1)N1CCC(C)CC1.
What is the InChIKey of N',4-dimethyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide?
The InChIKey is ILPRUIPDIIMSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-15-9-13-24(14-10-15)19(20-2)22-12-11-21-18-8-7-16-5-3-4-6-17(16)23-18/h3-8,15H,9-14H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N',4-dimethyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide?
N',4-dimethyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide has a molecular weight of 325.46 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',4-dimethyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111211199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).