N-(cyclopropylmethyl)-N-methyl-4-(methylaminomethyl)quinolin-2-amine

C16H21N3 — CID 62283322

IUPACN-(cyclopropylmethyl)-N-methyl-4-(methylaminomethyl)quinolin-2-amine
SMILESCNCc1cc(N(C)CC2CC2)nc2ccccc12
InChIInChI=1S/C16H21N3/c1-17-10-13-9-16(19(2)11-12-7-8-12)18-15-6-4-3-5-14(13)15/h3-6,9,12,17H,7-8,10-11H2,1-2H3
InChIKeyFUJFPTKNJASABD-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.80
Rot. Bonds5

About N-(cyclopropylmethyl)-N-methyl-4-(methylaminomethyl)quinolin-2-amine

N-(cyclopropylmethyl)-N-methyl-4-(methylaminomethyl)quinolin-2-amine (PubChem CID 62283322) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methyl-4-(methylaminomethyl)quinolin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methyl-4-(methylaminomethyl)quinolin-2-amine
PubChem CID62283322
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-(cyclopropylmethyl)-N-methyl-4-(methylaminomethyl)quinolin-2-amine
SMILESCNCc1cc(N(C)CC2CC2)nc2ccccc12
InChIInChI=1S/C16H21N3/c1-17-10-13-9-16(19(2)11-12-7-8-12)18-15-6-4-3-5-14(13)15/h3-6,9,12,17H,7-8,10-11H2,1-2H3
InChIKeyFUJFPTKNJASABD-UHFFFAOYSA-N
XLogP2.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-methyl-4-(methylaminomethyl)quinolin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-methyl-4-(methylaminomethyl)quinolin-2-amine (CID 62283322) is N-(cyclopropylmethyl)-N-methyl-4-(methylaminomethyl)quinolin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methyl-4-(methylaminomethyl)quinolin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-methyl-4-(methylaminomethyl)quinolin-2-amine is CNCc1cc(N(C)CC2CC2)nc2ccccc12.
What is the InChIKey of N-(cyclopropylmethyl)-N-methyl-4-(methylaminomethyl)quinolin-2-amine?
The InChIKey is FUJFPTKNJASABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-17-10-13-9-16(19(2)11-12-7-8-12)18-15-6-4-3-5-14(13)15/h3-6,9,12,17H,7-8,10-11H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-methyl-4-(methylaminomethyl)quinolin-2-amine?
N-(cyclopropylmethyl)-N-methyl-4-(methylaminomethyl)quinolin-2-amine has a molecular weight of 255.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methyl-4-(methylaminomethyl)quinolin-2-amine is sourced from PubChem (CID 62283322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).