4-N-(1-piperidin-1-ylpropan-2-yl)quinoline-4,7-diamine

C17H24N4 — CID 103000719

IUPAC4-N-(1-piperidin-1-ylpropan-2-yl)quinoline-4,7-diamine
SMILESCC(CN1CCCCC1)Nc1ccnc2cc(N)ccc12
InChIInChI=1S/C17H24N4/c1-13(12-21-9-3-2-4-10-21)20-16-7-8-19-17-11-14(18)5-6-15(16)17/h5-8,11,13H,2-4,9-10,12,18H2,1H3,(H,19,20)
InChIKeyJBBBCRNQFUHIQE-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.10
Rot. Bonds4

About 4-N-(1-piperidin-1-ylpropan-2-yl)quinoline-4,7-diamine

4-N-(1-piperidin-1-ylpropan-2-yl)quinoline-4,7-diamine (PubChem CID 103000719) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N-(1-piperidin-1-ylpropan-2-yl)quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(1-piperidin-1-ylpropan-2-yl)quinoline-4,7-diamine
PubChem CID103000719
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N-(1-piperidin-1-ylpropan-2-yl)quinoline-4,7-diamine
SMILESCC(CN1CCCCC1)Nc1ccnc2cc(N)ccc12
InChIInChI=1S/C17H24N4/c1-13(12-21-9-3-2-4-10-21)20-16-7-8-19-17-11-14(18)5-6-15(16)17/h5-8,11,13H,2-4,9-10,12,18H2,1H3,(H,19,20)
InChIKeyJBBBCRNQFUHIQE-UHFFFAOYSA-N
XLogP3.10
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.10
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

4-methyl-3-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,3-diamine
CID 62590164
2-fluoro-1-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,4-diamine
CID 54952869
4-N-(1-pyrrolidin-1-ylpropan-2-yl)quinazoline-4,6-diamine
CID 64588497
7-fluoro-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]quinolin-4-amine
CID 133307189
3-amino-2-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbonitrile
CID 82816660
4-N-[1-(1,3-thiazol-2-yl)ethyl]quinoline-4,7-diamine
CID 103001288
4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4,7-diamine
CID 103000573
3-bromo-8-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-5,8-diamine
CID 106949172
2-[(7-aminoquinolin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 103106780
4-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4,5-diamine
CID 82239020
3-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbothioamide
CID 114288317
3-[(7-aminoquinolin-4-yl)amino]-N-butan-2-ylpropanamide
CID 103000927

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-piperidin-1-ylpropan-2-yl)quinoline-4,7-diamine?
The IUPAC name of 4-N-(1-piperidin-1-ylpropan-2-yl)quinoline-4,7-diamine (CID 103000719) is 4-N-(1-piperidin-1-ylpropan-2-yl)quinoline-4,7-diamine.
What is the SMILES notation for 4-N-(1-piperidin-1-ylpropan-2-yl)quinoline-4,7-diamine?
The canonical SMILES for 4-N-(1-piperidin-1-ylpropan-2-yl)quinoline-4,7-diamine is CC(CN1CCCCC1)Nc1ccnc2cc(N)ccc12.
What is the InChIKey of 4-N-(1-piperidin-1-ylpropan-2-yl)quinoline-4,7-diamine?
The InChIKey is JBBBCRNQFUHIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13(12-21-9-3-2-4-10-21)20-16-7-8-19-17-11-14(18)5-6-15(16)17/h5-8,11,13H,2-4,9-10,12,18H2,1H3,(H,19,20).
What are the key properties of 4-N-(1-piperidin-1-ylpropan-2-yl)quinoline-4,7-diamine?
4-N-(1-piperidin-1-ylpropan-2-yl)quinoline-4,7-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-piperidin-1-ylpropan-2-yl)quinoline-4,7-diamine is sourced from PubChem (CID 103000719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).