N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methylquinolin-4-amine

C17H23N3 — CID 115366049

IUPACN-[[1-(aminomethyl)cyclopentyl]methyl]-2-methylquinolin-4-amine
SMILESCc1cc(NCC2(CN)CCCC2)c2ccccc2n1
InChIInChI=1S/C17H23N3/c1-13-10-16(14-6-2-3-7-15(14)20-13)19-12-17(11-18)8-4-5-9-17/h2-3,6-7,10H,4-5,8-9,11-12,18H2,1H3,(H,19,20)
InChIKeyHVWCITTVCJQRGL-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.47
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methylquinolin-4-amine

N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methylquinolin-4-amine (PubChem CID 115366049) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methyl]-2-methylquinolin-4-amine
PubChem CID115366049
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methyl]-2-methylquinolin-4-amine
SMILESCc1cc(NCC2(CN)CCCC2)c2ccccc2n1
InChIInChI=1S/C17H23N3/c1-13-10-16(14-6-2-3-7-15(14)20-13)19-12-17(11-18)8-4-5-9-17/h2-3,6-7,10H,4-5,8-9,11-12,18H2,1H3,(H,19,20)
InChIKeyHVWCITTVCJQRGL-UHFFFAOYSA-N
XLogP3.47
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-methylquinolin-4-amine
CID 114759234
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-methylquinolin-4-amine
CID 78953374
2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinolin-4-amine
CID 75430530
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-methylquinoxalin-2-amine
CID 103970448
2-methyl-3-[[(2-methylquinolin-4-yl)amino]methyl]oxolan-3-ol
CID 106102375
N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664297
N-[[1-(aminomethyl)cyclohexyl]methyl]aniline
CID 115438130
bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
N-[(4-ethylphenyl)methyl]-2-methylquinolin-4-amine
CID 106900074
2-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)quinolin-4-amine
CID 71899453
[1-[(2-methylquinolin-4-yl)methoxy]cyclopentyl]methanamine
CID 79235311

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methylquinolin-4-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methylquinolin-4-amine (CID 115366049) is N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methylquinolin-4-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methylquinolin-4-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methylquinolin-4-amine is Cc1cc(NCC2(CN)CCCC2)c2ccccc2n1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methylquinolin-4-amine?
The InChIKey is HVWCITTVCJQRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-10-16(14-6-2-3-7-15(14)20-13)19-12-17(11-18)8-4-5-9-17/h2-3,6-7,10H,4-5,8-9,11-12,18H2,1H3,(H,19,20).
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methylquinolin-4-amine?
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methylquinolin-4-amine has a molecular weight of 269.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methylquinolin-4-amine is sourced from PubChem (CID 115366049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).