3-[[cyclopentyl(ethyl)amino]methyl]quinolin-2-amine

C17H23N3 — CID 62183102

IUPAC3-[[cyclopentyl(ethyl)amino]methyl]quinolin-2-amine
SMILESCCN(Cc1cc2ccccc2nc1N)C1CCCC1
InChIInChI=1S/C17H23N3/c1-2-20(15-8-4-5-9-15)12-14-11-13-7-3-6-10-16(13)19-17(14)18/h3,6-7,10-11,15H,2,4-5,8-9,12H2,1H3,(H2,18,19)
InChIKeyIGRWGJAJGCCPTK-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.58
Rot. Bonds4

About 3-[[cyclopentyl(ethyl)amino]methyl]quinolin-2-amine

3-[[cyclopentyl(ethyl)amino]methyl]quinolin-2-amine (PubChem CID 62183102) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[[cyclopentyl(ethyl)amino]methyl]quinolin-2-amine.

Molecular Properties

Compound Name3-[[cyclopentyl(ethyl)amino]methyl]quinolin-2-amine
PubChem CID62183102
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-[[cyclopentyl(ethyl)amino]methyl]quinolin-2-amine
SMILESCCN(Cc1cc2ccccc2nc1N)C1CCCC1
InChIInChI=1S/C17H23N3/c1-2-20(15-8-4-5-9-15)12-14-11-13-7-3-6-10-16(13)19-17(14)18/h3,6-7,10-11,15H,2,4-5,8-9,12H2,1H3,(H2,18,19)
InChIKeyIGRWGJAJGCCPTK-UHFFFAOYSA-N
XLogP3.58
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]quinolin-2-amine
CID 62208799
3-[[methyl(oxan-4-ylmethyl)amino]methyl]quinolin-2-amine
CID 63711975
3-(cyclohexyloxymethyl)quinolin-2-amine
CID 62194016
3-(chloromethyl)-N-cyclopentyl-N-ethylquinolin-2-amine
CID 43541407
4-chloro-3-[[cyclopentyl(ethyl)amino]methyl]aniline
CID 43540735
2-[(2-aminoquinolin-3-yl)methyl-methylamino]ethanol
CID 62182083
3-(aminomethyl)-N-cycloheptyl-N-methylquinolin-2-amine
CID 43614276
3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]quinolin-2-amine
CID 62208946
3-[[cyclopentyl(ethyl)amino]methyl]aniline
CID 43459100
4-[[cyclohexyl(ethyl)amino]methyl]-3-fluoroaniline
CID 64768453
3-[[methyl(2-methylsulfanylethyl)amino]methyl]quinolin-2-amine
CID 112664241
3-[(4-ethylpiperidin-1-yl)methyl]quinolin-2-amine
CID 62207764

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentyl(ethyl)amino]methyl]quinolin-2-amine?
The IUPAC name of 3-[[cyclopentyl(ethyl)amino]methyl]quinolin-2-amine (CID 62183102) is 3-[[cyclopentyl(ethyl)amino]methyl]quinolin-2-amine.
What is the SMILES notation for 3-[[cyclopentyl(ethyl)amino]methyl]quinolin-2-amine?
The canonical SMILES for 3-[[cyclopentyl(ethyl)amino]methyl]quinolin-2-amine is CCN(Cc1cc2ccccc2nc1N)C1CCCC1.
What is the InChIKey of 3-[[cyclopentyl(ethyl)amino]methyl]quinolin-2-amine?
The InChIKey is IGRWGJAJGCCPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-20(15-8-4-5-9-15)12-14-11-13-7-3-6-10-16(13)19-17(14)18/h3,6-7,10-11,15H,2,4-5,8-9,12H2,1H3,(H2,18,19).
What are the key properties of 3-[[cyclopentyl(ethyl)amino]methyl]quinolin-2-amine?
3-[[cyclopentyl(ethyl)amino]methyl]quinolin-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopentyl(ethyl)amino]methyl]quinolin-2-amine is sourced from PubChem (CID 62183102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).