3-[(5-aminoquinolin-8-yl)methyl-methylamino]butanenitrile

C15H18N4 — CID 55174134

IUPAC3-[(5-aminoquinolin-8-yl)methyl-methylamino]butanenitrile
SMILESCC(CC#N)N(C)Cc1ccc(N)c2cccnc12
InChIInChI=1S/C15H18N4/c1-11(7-8-16)19(2)10-12-5-6-14(17)13-4-3-9-18-15(12)13/h3-6,9,11H,7,10,17H2,1-2H3
InChIKeyKSPFZFOCNDKCCJ-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.55
Rot. Bonds4

About 3-[(5-aminoquinolin-8-yl)methyl-methylamino]butanenitrile

3-[(5-aminoquinolin-8-yl)methyl-methylamino]butanenitrile (PubChem CID 55174134) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 3-[(5-aminoquinolin-8-yl)methyl-methylamino]butanenitrile.

Molecular Properties

Compound Name3-[(5-aminoquinolin-8-yl)methyl-methylamino]butanenitrile
PubChem CID55174134
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name3-[(5-aminoquinolin-8-yl)methyl-methylamino]butanenitrile
SMILESCC(CC#N)N(C)Cc1ccc(N)c2cccnc12
InChIInChI=1S/C15H18N4/c1-11(7-8-16)19(2)10-12-5-6-14(17)13-4-3-9-18-15(12)13/h3-6,9,11H,7,10,17H2,1-2H3
InChIKeyKSPFZFOCNDKCCJ-UHFFFAOYSA-N
XLogP2.55
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-[[1-methoxypropan-2-yl(methyl)amino]methyl]quinolin-5-amine
CID 61450348
8-[[butan-2-yl(ethyl)amino]methyl]quinolin-5-amine
CID 43376007
1-[(5-aminoquinolin-8-yl)methyl-methylamino]propan-2-ol
CID 62334736
8-[[ethyl(2-methylpropyl)amino]methyl]quinolin-5-amine
CID 43375996
8-[[methoxy(methyl)amino]methyl]quinolin-5-amine
CID 43627608
8-[(dibutylamino)methyl]quinolin-5-amine
CID 43375839
8-[[benzyl(methyl)amino]methyl]quinolin-5-amine
CID 43375712
4-[(5-aminoquinolin-8-yl)methyl-methylamino]phenol
CID 107733762
8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine
CID 43375606
3-[(4-amino-2-chlorophenyl)methyl-methylamino]butanenitrile
CID 63225451
8-(propan-2-ylsulfinylmethyl)quinolin-5-amine
CID 61289256
3-[methyl-[(2-methylquinolin-4-yl)methyl]amino]butanenitrile
CID 79235555

Frequently Asked Questions

What is the IUPAC name of 3-[(5-aminoquinolin-8-yl)methyl-methylamino]butanenitrile?
The IUPAC name of 3-[(5-aminoquinolin-8-yl)methyl-methylamino]butanenitrile (CID 55174134) is 3-[(5-aminoquinolin-8-yl)methyl-methylamino]butanenitrile.
What is the SMILES notation for 3-[(5-aminoquinolin-8-yl)methyl-methylamino]butanenitrile?
The canonical SMILES for 3-[(5-aminoquinolin-8-yl)methyl-methylamino]butanenitrile is CC(CC#N)N(C)Cc1ccc(N)c2cccnc12.
What is the InChIKey of 3-[(5-aminoquinolin-8-yl)methyl-methylamino]butanenitrile?
The InChIKey is KSPFZFOCNDKCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11(7-8-16)19(2)10-12-5-6-14(17)13-4-3-9-18-15(12)13/h3-6,9,11H,7,10,17H2,1-2H3.
What are the key properties of 3-[(5-aminoquinolin-8-yl)methyl-methylamino]butanenitrile?
3-[(5-aminoquinolin-8-yl)methyl-methylamino]butanenitrile has a molecular weight of 254.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-aminoquinolin-8-yl)methyl-methylamino]butanenitrile is sourced from PubChem (CID 55174134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).