N-[(3-aminocyclopentyl)methyl]-2-methylquinolin-4-amine

C16H21N3 — CID 106127195

IUPACN-[(3-aminocyclopentyl)methyl]-2-methylquinolin-4-amine
SMILESCc1cc(NCC2CCC(N)C2)c2ccccc2n1
InChIInChI=1S/C16H21N3/c1-11-8-16(14-4-2-3-5-15(14)19-11)18-10-12-6-7-13(17)9-12/h2-5,8,12-13H,6-7,9-10,17H2,1H3,(H,18,19)
InChIKeyCUXHNAWHBUBFCC-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.08
Rot. Bonds3

About N-[(3-aminocyclopentyl)methyl]-2-methylquinolin-4-amine

N-[(3-aminocyclopentyl)methyl]-2-methylquinolin-4-amine (PubChem CID 106127195) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[(3-aminocyclopentyl)methyl]-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[(3-aminocyclopentyl)methyl]-2-methylquinolin-4-amine
PubChem CID106127195
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[(3-aminocyclopentyl)methyl]-2-methylquinolin-4-amine
SMILESCc1cc(NCC2CCC(N)C2)c2ccccc2n1
InChIInChI=1S/C16H21N3/c1-11-8-16(14-4-2-3-5-15(14)19-11)18-10-12-6-7-13(17)9-12/h2-5,8,12-13H,6-7,9-10,17H2,1H3,(H,18,19)
InChIKeyCUXHNAWHBUBFCC-UHFFFAOYSA-N
XLogP3.08
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylquinolin-4-amine
CID 60858147
2-methyl-N-[(2-phenyloxolan-3-yl)methyl]quinolin-4-amine
CID 133353384
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
2-methyl-N-(morpholin-3-ylmethyl)quinolin-4-amine
CID 103549152
N-[(4-aminocyclohexyl)methyl]acridin-9-amine
CID 59230418
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
trans-(1R,2R)-2-N-(2-methylquinolin-4-yl)cyclohexane-1,2-diamine
CID 93453736
2-methyl-4-N-(thiolan-3-ylmethyl)quinoline-4,6-diamine
CID 107294982
N-[[1-ethyl-5-[[(2-methylquinolin-4-yl)amino]methyl]piperidin-2-yl]methyl]naphthalene-1-sulfonamide
CID 10164101
N-(2-chloro-2-phenylethyl)-2-methylquinolin-4-amine
CID 65027861
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methylquinolin-4-amine
CID 115366049
2-methyl-N-[(4-methylmorpholin-3-yl)methyl]quinolin-4-amine
CID 154842506

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclopentyl)methyl]-2-methylquinolin-4-amine?
The IUPAC name of N-[(3-aminocyclopentyl)methyl]-2-methylquinolin-4-amine (CID 106127195) is N-[(3-aminocyclopentyl)methyl]-2-methylquinolin-4-amine.
What is the SMILES notation for N-[(3-aminocyclopentyl)methyl]-2-methylquinolin-4-amine?
The canonical SMILES for N-[(3-aminocyclopentyl)methyl]-2-methylquinolin-4-amine is Cc1cc(NCC2CCC(N)C2)c2ccccc2n1.
What is the InChIKey of N-[(3-aminocyclopentyl)methyl]-2-methylquinolin-4-amine?
The InChIKey is CUXHNAWHBUBFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-8-16(14-4-2-3-5-15(14)19-11)18-10-12-6-7-13(17)9-12/h2-5,8,12-13H,6-7,9-10,17H2,1H3,(H,18,19).
What are the key properties of N-[(3-aminocyclopentyl)methyl]-2-methylquinolin-4-amine?
N-[(3-aminocyclopentyl)methyl]-2-methylquinolin-4-amine has a molecular weight of 255.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclopentyl)methyl]-2-methylquinolin-4-amine is sourced from PubChem (CID 106127195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).