4-N-[3-[methyl(propan-2-yl)amino]propyl]quinoline-4,7-diamine

C16H24N4 — CID 106036752

IUPAC4-N-[3-[methyl(propan-2-yl)amino]propyl]quinoline-4,7-diamine
SMILESCC(C)N(C)CCCNc1ccnc2cc(N)ccc12
InChIInChI=1S/C16H24N4/c1-12(2)20(3)10-4-8-18-15-7-9-19-16-11-13(17)5-6-14(15)16/h5-7,9,11-12H,4,8,10,17H2,1-3H3,(H,18,19)
InChIKeyPLKWWVRXDRXBKW-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.96
Rot. Bonds6

About 4-N-[3-[methyl(propan-2-yl)amino]propyl]quinoline-4,7-diamine

4-N-[3-[methyl(propan-2-yl)amino]propyl]quinoline-4,7-diamine (PubChem CID 106036752) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 4-N-[3-[methyl(propan-2-yl)amino]propyl]quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-[3-[methyl(propan-2-yl)amino]propyl]quinoline-4,7-diamine
PubChem CID106036752
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name4-N-[3-[methyl(propan-2-yl)amino]propyl]quinoline-4,7-diamine
SMILESCC(C)N(C)CCCNc1ccnc2cc(N)ccc12
InChIInChI=1S/C16H24N4/c1-12(2)20(3)10-4-8-18-15-7-9-19-16-11-13(17)5-6-14(15)16/h5-7,9,11-12H,4,8,10,17H2,1-3H3,(H,18,19)
InChIKeyPLKWWVRXDRXBKW-UHFFFAOYSA-N
XLogP2.96
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-[3-[methyl(propan-2-yl)amino]propyl]quinazoline-4,7-diamine
CID 106036460
4-N-[2-[ethyl(methyl)amino]ethyl]quinoline-4,7-diamine
CID 103001063
4-N-[2-(dimethylamino)propyl]quinoline-4,7-diamine
CID 103000943
4-N-(3-butoxypropyl)quinoline-4,7-diamine
CID 103001799
4-N-but-3-enylquinoline-4,7-diamine
CID 103001772
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine
CID 103001451
4-N-methyl-4-N-propan-2-ylquinoline-4,7-diamine
CID 103000007
3-[(7-aminoquinolin-4-yl)amino]-N-butan-2-ylpropanamide
CID 103000927
4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine
CID 106036365
N-(7-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 45483572
N'-methyl-N-(7-methylquinolin-4-yl)-N'-[6-[(7-methylquinolin-4-yl)amino]hexyl]hexane-1,6-diamine
CID 130467289
4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine
CID 103001147

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[methyl(propan-2-yl)amino]propyl]quinoline-4,7-diamine?
The IUPAC name of 4-N-[3-[methyl(propan-2-yl)amino]propyl]quinoline-4,7-diamine (CID 106036752) is 4-N-[3-[methyl(propan-2-yl)amino]propyl]quinoline-4,7-diamine.
What is the SMILES notation for 4-N-[3-[methyl(propan-2-yl)amino]propyl]quinoline-4,7-diamine?
The canonical SMILES for 4-N-[3-[methyl(propan-2-yl)amino]propyl]quinoline-4,7-diamine is CC(C)N(C)CCCNc1ccnc2cc(N)ccc12.
What is the InChIKey of 4-N-[3-[methyl(propan-2-yl)amino]propyl]quinoline-4,7-diamine?
The InChIKey is PLKWWVRXDRXBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-12(2)20(3)10-4-8-18-15-7-9-19-16-11-13(17)5-6-14(15)16/h5-7,9,11-12H,4,8,10,17H2,1-3H3,(H,18,19).
What are the key properties of 4-N-[3-[methyl(propan-2-yl)amino]propyl]quinoline-4,7-diamine?
4-N-[3-[methyl(propan-2-yl)amino]propyl]quinoline-4,7-diamine has a molecular weight of 272.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[methyl(propan-2-yl)amino]propyl]quinoline-4,7-diamine is sourced from PubChem (CID 106036752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).