N-ethyl-4-[(propan-2-ylamino)methyl]-N-propylquinolin-2-amine

C18H27N3 — CID 62279533

IUPACN-ethyl-4-[(propan-2-ylamino)methyl]-N-propylquinolin-2-amine
SMILESCCCN(CC)c1cc(CNC(C)C)c2ccccc2n1
InChIInChI=1S/C18H27N3/c1-5-11-21(6-2)18-12-15(13-19-14(3)4)16-9-7-8-10-17(16)20-18/h7-10,12,14,19H,5-6,11,13H2,1-4H3
InChIKeyHRMGBOFFGLJGAX-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.97
Rot. Bonds7

About N-ethyl-4-[(propan-2-ylamino)methyl]-N-propylquinolin-2-amine

N-ethyl-4-[(propan-2-ylamino)methyl]-N-propylquinolin-2-amine (PubChem CID 62279533) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-ethyl-4-[(propan-2-ylamino)methyl]-N-propylquinolin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[(propan-2-ylamino)methyl]-N-propylquinolin-2-amine
PubChem CID62279533
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-ethyl-4-[(propan-2-ylamino)methyl]-N-propylquinolin-2-amine
SMILESCCCN(CC)c1cc(CNC(C)C)c2ccccc2n1
InChIInChI=1S/C18H27N3/c1-5-11-21(6-2)18-12-15(13-19-14(3)4)16-9-7-8-10-17(16)20-18/h7-10,12,14,19H,5-6,11,13H2,1-4H3
InChIKeyHRMGBOFFGLJGAX-UHFFFAOYSA-N
XLogP3.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(propan-2-ylamino)methyl]-N-propylquinolin-2-amine?
The IUPAC name of N-ethyl-4-[(propan-2-ylamino)methyl]-N-propylquinolin-2-amine (CID 62279533) is N-ethyl-4-[(propan-2-ylamino)methyl]-N-propylquinolin-2-amine.
What is the SMILES notation for N-ethyl-4-[(propan-2-ylamino)methyl]-N-propylquinolin-2-amine?
The canonical SMILES for N-ethyl-4-[(propan-2-ylamino)methyl]-N-propylquinolin-2-amine is CCCN(CC)c1cc(CNC(C)C)c2ccccc2n1.
What is the InChIKey of N-ethyl-4-[(propan-2-ylamino)methyl]-N-propylquinolin-2-amine?
The InChIKey is HRMGBOFFGLJGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-11-21(6-2)18-12-15(13-19-14(3)4)16-9-7-8-10-17(16)20-18/h7-10,12,14,19H,5-6,11,13H2,1-4H3.
What are the key properties of N-ethyl-4-[(propan-2-ylamino)methyl]-N-propylquinolin-2-amine?
N-ethyl-4-[(propan-2-ylamino)methyl]-N-propylquinolin-2-amine has a molecular weight of 285.44 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(propan-2-ylamino)methyl]-N-propylquinolin-2-amine is sourced from PubChem (CID 62279533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).