8-N-[(1,4-dimethylpiperidin-4-yl)methyl]quinoline-5,8-diamine

C17H24N4 — CID 107163030

IUPAC8-N-[(1,4-dimethylpiperidin-4-yl)methyl]quinoline-5,8-diamine
SMILESCN1CCC(C)(CNc2ccc(N)c3cccnc23)CC1
InChIInChI=1S/C17H24N4/c1-17(7-10-21(2)11-8-17)12-20-15-6-5-14(18)13-4-3-9-19-16(13)15/h3-6,9,20H,7-8,10-12,18H2,1-2H3
InChIKeyNIAKLEQUISBEMG-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.96
Rot. Bonds3

About 8-N-[(1,4-dimethylpiperidin-4-yl)methyl]quinoline-5,8-diamine

8-N-[(1,4-dimethylpiperidin-4-yl)methyl]quinoline-5,8-diamine (PubChem CID 107163030) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 8-N-[(1,4-dimethylpiperidin-4-yl)methyl]quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-[(1,4-dimethylpiperidin-4-yl)methyl]quinoline-5,8-diamine
PubChem CID107163030
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name8-N-[(1,4-dimethylpiperidin-4-yl)methyl]quinoline-5,8-diamine
SMILESCN1CCC(C)(CNc2ccc(N)c3cccnc23)CC1
InChIInChI=1S/C17H24N4/c1-17(7-10-21(2)11-8-17)12-20-15-6-5-14(18)13-4-3-9-19-16(13)15/h3-6,9,20H,7-8,10-12,18H2,1-2H3
InChIKeyNIAKLEQUISBEMG-UHFFFAOYSA-N
XLogP2.96
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-nitropyridin-3-amine
CID 103989960
8-N-(1-methylcyclopentyl)quinoline-5,8-diamine
CID 61364592
1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 65103110
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine
CID 134712707
2-[(5-aminoquinolin-8-yl)amino]ethanol
CID 43450143
8-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-5,8-diamine
CID 43450138
8-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-5,8-diamine
CID 79223061
7-fluoro-8-N-[(1-methylcyclopentyl)methyl]quinoline-5,8-diamine
CID 83165841
4,5-dichloro-2-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzene-1,2-diamine
CID 107163015
8-N-(2-ethoxyethyl)quinoline-5,8-diamine
CID 43591091
3-amino-4-[(1,4-dimethylpiperidin-4-yl)methylamino]benzenesulfonamide
CID 107163046
1-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylsulfonylbenzene-1,2-diamine
CID 107162990

Frequently Asked Questions

What is the IUPAC name of 8-N-[(1,4-dimethylpiperidin-4-yl)methyl]quinoline-5,8-diamine?
The IUPAC name of 8-N-[(1,4-dimethylpiperidin-4-yl)methyl]quinoline-5,8-diamine (CID 107163030) is 8-N-[(1,4-dimethylpiperidin-4-yl)methyl]quinoline-5,8-diamine.
What is the SMILES notation for 8-N-[(1,4-dimethylpiperidin-4-yl)methyl]quinoline-5,8-diamine?
The canonical SMILES for 8-N-[(1,4-dimethylpiperidin-4-yl)methyl]quinoline-5,8-diamine is CN1CCC(C)(CNc2ccc(N)c3cccnc23)CC1.
What is the InChIKey of 8-N-[(1,4-dimethylpiperidin-4-yl)methyl]quinoline-5,8-diamine?
The InChIKey is NIAKLEQUISBEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-17(7-10-21(2)11-8-17)12-20-15-6-5-14(18)13-4-3-9-19-16(13)15/h3-6,9,20H,7-8,10-12,18H2,1-2H3.
What are the key properties of 8-N-[(1,4-dimethylpiperidin-4-yl)methyl]quinoline-5,8-diamine?
8-N-[(1,4-dimethylpiperidin-4-yl)methyl]quinoline-5,8-diamine has a molecular weight of 284.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(1,4-dimethylpiperidin-4-yl)methyl]quinoline-5,8-diamine is sourced from PubChem (CID 107163030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).