N-methyl-3-[(2-methylpiperidin-1-yl)methyl]quinolin-2-amine

C17H23N3 — CID 62178927

IUPACN-methyl-3-[(2-methylpiperidin-1-yl)methyl]quinolin-2-amine
SMILESCNc1nc2ccccc2cc1CN1CCCCC1C
InChIInChI=1S/C17H23N3/c1-13-7-5-6-10-20(13)12-15-11-14-8-3-4-9-16(14)19-17(15)18-2/h3-4,8-9,11,13H,5-7,10,12H2,1-2H3,(H,18,19)
InChIKeyNKZFPFXDZHJVSK-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.65
Rot. Bonds3

About N-methyl-3-[(2-methylpiperidin-1-yl)methyl]quinolin-2-amine

N-methyl-3-[(2-methylpiperidin-1-yl)methyl]quinolin-2-amine (PubChem CID 62178927) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-methyl-3-[(2-methylpiperidin-1-yl)methyl]quinolin-2-amine.

Molecular Properties

Compound NameN-methyl-3-[(2-methylpiperidin-1-yl)methyl]quinolin-2-amine
PubChem CID62178927
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-methyl-3-[(2-methylpiperidin-1-yl)methyl]quinolin-2-amine
SMILESCNc1nc2ccccc2cc1CN1CCCCC1C
InChIInChI=1S/C17H23N3/c1-13-7-5-6-10-20(13)12-15-11-14-8-3-4-9-16(14)19-17(15)18-2/h3-4,8-9,11,13H,5-7,10,12H2,1-2H3,(H,18,19)
InChIKeyNKZFPFXDZHJVSK-UHFFFAOYSA-N
XLogP3.65
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2-methylpiperidin-1-yl)methyl]quinolin-2-amine?
The IUPAC name of N-methyl-3-[(2-methylpiperidin-1-yl)methyl]quinolin-2-amine (CID 62178927) is N-methyl-3-[(2-methylpiperidin-1-yl)methyl]quinolin-2-amine.
What is the SMILES notation for N-methyl-3-[(2-methylpiperidin-1-yl)methyl]quinolin-2-amine?
The canonical SMILES for N-methyl-3-[(2-methylpiperidin-1-yl)methyl]quinolin-2-amine is CNc1nc2ccccc2cc1CN1CCCCC1C.
What is the InChIKey of N-methyl-3-[(2-methylpiperidin-1-yl)methyl]quinolin-2-amine?
The InChIKey is NKZFPFXDZHJVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-7-5-6-10-20(13)12-15-11-14-8-3-4-9-16(14)19-17(15)18-2/h3-4,8-9,11,13H,5-7,10,12H2,1-2H3,(H,18,19).
What are the key properties of N-methyl-3-[(2-methylpiperidin-1-yl)methyl]quinolin-2-amine?
N-methyl-3-[(2-methylpiperidin-1-yl)methyl]quinolin-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2-methylpiperidin-1-yl)methyl]quinolin-2-amine is sourced from PubChem (CID 62178927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).