2-(4-methylpiperidin-1-yl)-N-(quinolin-8-ylmethyl)ethanamine

C18H25N3 — CID 61239909

IUPAC2-(4-methylpiperidin-1-yl)-N-(quinolin-8-ylmethyl)ethanamine
SMILESCC1CCN(CCNCc2cccc3cccnc23)CC1
InChIInChI=1S/C18H25N3/c1-15-7-11-21(12-8-15)13-10-19-14-17-5-2-4-16-6-3-9-20-18(16)17/h2-6,9,15,19H,7-8,10-14H2,1H3
InChIKeyAJDTXZWYOQSANA-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.06
Rot. Bonds5

About 2-(4-methylpiperidin-1-yl)-N-(quinolin-8-ylmethyl)ethanamine

2-(4-methylpiperidin-1-yl)-N-(quinolin-8-ylmethyl)ethanamine (PubChem CID 61239909) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-(quinolin-8-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-(quinolin-8-ylmethyl)ethanamine
PubChem CID61239909
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-(4-methylpiperidin-1-yl)-N-(quinolin-8-ylmethyl)ethanamine
SMILESCC1CCN(CCNCc2cccc3cccnc23)CC1
InChIInChI=1S/C18H25N3/c1-15-7-11-21(12-8-15)13-10-19-14-17-5-2-4-16-6-3-9-20-18(16)17/h2-6,9,15,19H,7-8,10-14H2,1H3
InChIKeyAJDTXZWYOQSANA-UHFFFAOYSA-N
XLogP3.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide
CID 5053869
N'-cyclopentyl-N'-methyl-N-(quinolin-8-ylmethyl)ethane-1,2-diamine
CID 63314495
N-(quinolin-8-ylmethyl)butan-1-amine
CID 28613793
2-(4-methylazepan-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 63626313
4-methyl-N-(quinolin-8-ylmethyl)cycloheptan-1-amine
CID 81426138
N-(1H-indol-4-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 63002106
8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 81423173
1-cyclobutyl-N-(quinolin-8-ylmethyl)methanamine
CID 43298300
2,6-dimethyl-N-(quinolin-8-ylmethyl)piperidin-1-amine
CID 83007197
3-methyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 79032434
1-(quinolin-8-ylmethyl)piperidine-4-carbaldehyde
CID 62654466
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(quinolin-8-ylsulfonylamino)acetamide
CID 46957375

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-(quinolin-8-ylmethyl)ethanamine?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-(quinolin-8-ylmethyl)ethanamine (CID 61239909) is 2-(4-methylpiperidin-1-yl)-N-(quinolin-8-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-(quinolin-8-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-(quinolin-8-ylmethyl)ethanamine is CC1CCN(CCNCc2cccc3cccnc23)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-(quinolin-8-ylmethyl)ethanamine?
The InChIKey is AJDTXZWYOQSANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-15-7-11-21(12-8-15)13-10-19-14-17-5-2-4-16-6-3-9-20-18(16)17/h2-6,9,15,19H,7-8,10-14H2,1H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-(quinolin-8-ylmethyl)ethanamine?
2-(4-methylpiperidin-1-yl)-N-(quinolin-8-ylmethyl)ethanamine has a molecular weight of 283.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-(quinolin-8-ylmethyl)ethanamine is sourced from PubChem (CID 61239909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).