3-[methyl-(3-methylquinolin-2-yl)amino]propanenitrile

C14H15N3 — CID 63229008

IUPAC3-[methyl-(3-methylquinolin-2-yl)amino]propanenitrile
SMILESCc1cc2ccccc2nc1N(C)CCC#N
InChIInChI=1S/C14H15N3/c1-11-10-12-6-3-4-7-13(12)16-14(11)17(2)9-5-8-15/h3-4,6-7,10H,5,9H2,1-2H3
InChIKeyNLLJRXURNKSVTM-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.89
Rot. Bonds3

About 3-[methyl-(3-methylquinolin-2-yl)amino]propanenitrile

3-[methyl-(3-methylquinolin-2-yl)amino]propanenitrile (PubChem CID 63229008) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[methyl-(3-methylquinolin-2-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl-(3-methylquinolin-2-yl)amino]propanenitrile
PubChem CID63229008
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name3-[methyl-(3-methylquinolin-2-yl)amino]propanenitrile
SMILESCc1cc2ccccc2nc1N(C)CCC#N
InChIInChI=1S/C14H15N3/c1-11-10-12-6-3-4-7-13(12)16-14(11)17(2)9-5-8-15/h3-4,6-7,10H,5,9H2,1-2H3
InChIKeyNLLJRXURNKSVTM-UHFFFAOYSA-N
XLogP2.89
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Quipazine
CID 5011
2-Aminoquinoline
CID 11379
2,4-Diaminoquinazoline
CID 65087
1-(4-Methylquinazolin-2-yl)guanidine
CID 345657
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
4-Methyl-2-(1-piperidinyl)quinoline
CID 230710
2-Aminoquinoline-3-carbonitrile
CID 268505
N-Methylquipazine
CID 5013
BU 224
CID 2457
2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
4-Methyl-2-quinazolinamine
CID 269325
Neocryptolepine
CID 390526

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(3-methylquinolin-2-yl)amino]propanenitrile?
The IUPAC name of 3-[methyl-(3-methylquinolin-2-yl)amino]propanenitrile (CID 63229008) is 3-[methyl-(3-methylquinolin-2-yl)amino]propanenitrile.
What is the SMILES notation for 3-[methyl-(3-methylquinolin-2-yl)amino]propanenitrile?
The canonical SMILES for 3-[methyl-(3-methylquinolin-2-yl)amino]propanenitrile is Cc1cc2ccccc2nc1N(C)CCC#N.
What is the InChIKey of 3-[methyl-(3-methylquinolin-2-yl)amino]propanenitrile?
The InChIKey is NLLJRXURNKSVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-11-10-12-6-3-4-7-13(12)16-14(11)17(2)9-5-8-15/h3-4,6-7,10H,5,9H2,1-2H3.
What are the key properties of 3-[methyl-(3-methylquinolin-2-yl)amino]propanenitrile?
3-[methyl-(3-methylquinolin-2-yl)amino]propanenitrile has a molecular weight of 225.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(3-methylquinolin-2-yl)amino]propanenitrile is sourced from PubChem (CID 63229008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).