4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylquinolin-2-amine

C17H23N3 — CID 107397272

IUPAC4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylquinolin-2-amine
SMILESCCN(CC1CCC1)c1cc(CN)c2ccccc2n1
InChIInChI=1S/C17H23N3/c1-2-20(12-13-6-5-7-13)17-10-14(11-18)15-8-3-4-9-16(15)19-17/h3-4,8-10,13H,2,5-7,11-12,18H2,1H3
InChIKeyIKTGIBYLSBWBNH-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.32
Rot. Bonds5

About 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylquinolin-2-amine

4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylquinolin-2-amine (PubChem CID 107397272) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylquinolin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylquinolin-2-amine
PubChem CID107397272
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylquinolin-2-amine
SMILESCCN(CC1CCC1)c1cc(CN)c2ccccc2n1
InChIInChI=1S/C17H23N3/c1-2-20(12-13-6-5-7-13)17-10-14(11-18)15-8-3-4-9-16(15)19-17/h3-4,8-10,13H,2,5-7,11-12,18H2,1H3
InChIKeyIKTGIBYLSBWBNH-UHFFFAOYSA-N
XLogP3.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N,N-diethylquinolin-2-amine
CID 62299448
4-(aminomethyl)-N-cyclopropyl-N-propylquinolin-2-amine
CID 62299647
4-(aminomethyl)-N,N-dimethylquinolin-2-amine
CID 56828443
[2-[cyclopentylmethyl(methyl)amino]quinolin-4-yl]methanol
CID 63631449
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)quinolin-2-amine
CID 62300001
4-(aminomethyl)-N-methyl-N-propylquinolin-2-amine
CID 62300858
3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylisoquinolin-1-amine
CID 63938907
4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)quinolin-2-amine
CID 62286362
[1-[cyclobutylmethyl(ethyl)amino]isoquinolin-3-yl]methanol
CID 107400671
6-N-(cyclobutylmethyl)-6-N-ethylpyridine-2,6-diamine
CID 107402993
N-ethyl-4-[(propan-2-ylamino)methyl]-N-propylquinolin-2-amine
CID 62279533
3-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethylimidazo[1,2-a]pyridin-2-amine
CID 107402435

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylquinolin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylquinolin-2-amine (CID 107397272) is 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylquinolin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylquinolin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylquinolin-2-amine is CCN(CC1CCC1)c1cc(CN)c2ccccc2n1.
What is the InChIKey of 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylquinolin-2-amine?
The InChIKey is IKTGIBYLSBWBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-20(12-13-6-5-7-13)17-10-14(11-18)15-8-3-4-9-16(15)19-17/h3-4,8-10,13H,2,5-7,11-12,18H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylquinolin-2-amine?
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylquinolin-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylquinolin-2-amine is sourced from PubChem (CID 107397272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).