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

C17H25N3 — CID 63374302

IUPACN-methyl-2-[(propan-2-ylamino)methyl]-N-propylquinolin-4-amine
SMILESCCCN(C)c1cc(CNC(C)C)nc2ccccc12
InChIInChI=1S/C17H25N3/c1-5-10-20(4)17-11-14(12-18-13(2)3)19-16-9-7-6-8-15(16)17/h6-9,11,13,18H,5,10,12H2,1-4H3
InChIKeyQHMYNPMIYPQMNR-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.58
Rot. Bonds6

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

N-methyl-2-[(propan-2-ylamino)methyl]-N-propylquinolin-4-amine (PubChem CID 63374302) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-methyl-2-[(propan-2-ylamino)methyl]-N-propylquinolin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[(propan-2-ylamino)methyl]-N-propylquinolin-4-amine
PubChem CID63374302
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-methyl-2-[(propan-2-ylamino)methyl]-N-propylquinolin-4-amine
SMILESCCCN(C)c1cc(CNC(C)C)nc2ccccc12
InChIInChI=1S/C17H25N3/c1-5-10-20(4)17-11-14(12-18-13(2)3)19-16-9-7-6-8-15(16)17/h6-9,11,13,18H,5,10,12H2,1-4H3
InChIKeyQHMYNPMIYPQMNR-UHFFFAOYSA-N
XLogP3.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(propan-2-ylamino)methyl]-N-propylquinolin-4-amine?
The IUPAC name of N-methyl-2-[(propan-2-ylamino)methyl]-N-propylquinolin-4-amine (CID 63374302) is N-methyl-2-[(propan-2-ylamino)methyl]-N-propylquinolin-4-amine.
What is the SMILES notation for N-methyl-2-[(propan-2-ylamino)methyl]-N-propylquinolin-4-amine?
The canonical SMILES for N-methyl-2-[(propan-2-ylamino)methyl]-N-propylquinolin-4-amine is CCCN(C)c1cc(CNC(C)C)nc2ccccc12.
What is the InChIKey of N-methyl-2-[(propan-2-ylamino)methyl]-N-propylquinolin-4-amine?
The InChIKey is QHMYNPMIYPQMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-10-20(4)17-11-14(12-18-13(2)3)19-16-9-7-6-8-15(16)17/h6-9,11,13,18H,5,10,12H2,1-4H3.
What are the key properties of N-methyl-2-[(propan-2-ylamino)methyl]-N-propylquinolin-4-amine?
N-methyl-2-[(propan-2-ylamino)methyl]-N-propylquinolin-4-amine has a molecular weight of 271.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(propan-2-ylamino)methyl]-N-propylquinolin-4-amine is sourced from PubChem (CID 63374302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).