N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-methylquinolin-4-amine

C16H21N3 — CID 114759234

IUPACN-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-methylquinolin-4-amine
SMILESCc1cc(NCC2(CCN)CC2)c2ccccc2n1
InChIInChI=1S/C16H21N3/c1-12-10-15(13-4-2-3-5-14(13)19-12)18-11-16(6-7-16)8-9-17/h2-5,10H,6-9,11,17H2,1H3,(H,18,19)
InChIKeyJVZLYFXHRVSQIF-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.08
Rot. Bonds5

About N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-methylquinolin-4-amine

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-methylquinolin-4-amine (PubChem CID 114759234) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-methylquinolin-4-amine
PubChem CID114759234
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-methylquinolin-4-amine
SMILESCc1cc(NCC2(CCN)CC2)c2ccccc2n1
InChIInChI=1S/C16H21N3/c1-12-10-15(13-4-2-3-5-14(13)19-12)18-11-16(6-7-16)8-9-17/h2-5,10H,6-9,11,17H2,1H3,(H,18,19)
InChIKeyJVZLYFXHRVSQIF-UHFFFAOYSA-N
XLogP3.08
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

Analyze N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-methylquinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methylquinolin-4-amine
CID 115366049
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-(dimethylamino)cyclopentyl]methyl]-2-methylquinolin-4-amine
CID 78953374
N-[(4-ethylphenyl)methyl]-2-methylquinolin-4-amine
CID 106900074
2-methyl-3-[[(2-methylquinolin-4-yl)amino]methyl]oxolan-3-ol
CID 106102375
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylphthalazin-1-amine
CID 114759162
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-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664297
2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide
CID 43552334
N-[(3-aminocyclopentyl)methyl]-2-methylquinolin-4-amine
CID 106127195
2-methyl-N-(2-phenylpropyl)quinolin-4-amine
CID 104591691

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-methylquinolin-4-amine?
The IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-methylquinolin-4-amine (CID 114759234) is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-methylquinolin-4-amine.
What is the SMILES notation for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-methylquinolin-4-amine?
The canonical SMILES for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-methylquinolin-4-amine is Cc1cc(NCC2(CCN)CC2)c2ccccc2n1.
What is the InChIKey of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-methylquinolin-4-amine?
The InChIKey is JVZLYFXHRVSQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-10-15(13-4-2-3-5-14(13)19-12)18-11-16(6-7-16)8-9-17/h2-5,10H,6-9,11,17H2,1H3,(H,18,19).
What are the key properties of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-methylquinolin-4-amine?
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-methylquinolin-4-amine has a molecular weight of 255.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-methylquinolin-4-amine is sourced from PubChem (CID 114759234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).