N-methylmethanamine;5-nitro-N-propylquinolin-4-amine

C14H20N4O2 — CID 69400759

IUPACN-methylmethanamine;5-nitro-N-propylquinolin-4-amine
SMILESCCCNc1ccnc2cccc([N+](=O)[O-])c12.CNC
InChIInChI=1S/C12H13N3O2.C2H7N/c1-2-7-13-10-6-8-14-9-4-3-5-11(12(9)10)15(16)17;1-3-2/h3-6,8H,2,7H2,1H3,(H,13,14);3H,1-2H3
InChIKeyDSHNTROGJVRKOD-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.80
Rot. Bonds4

About N-methylmethanamine;5-nitro-N-propylquinolin-4-amine

N-methylmethanamine;5-nitro-N-propylquinolin-4-amine (PubChem CID 69400759) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-methylmethanamine;5-nitro-N-propylquinolin-4-amine.

Molecular Properties

Compound NameN-methylmethanamine;5-nitro-N-propylquinolin-4-amine
PubChem CID69400759
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-methylmethanamine;5-nitro-N-propylquinolin-4-amine
SMILESCCCNc1ccnc2cccc([N+](=O)[O-])c12.CNC
InChIInChI=1S/C12H13N3O2.C2H7N/c1-2-7-13-10-6-8-14-9-4-3-5-11(12(9)10)15(16)17;1-3-2/h3-6,8H,2,7H2,1H3,(H,13,14);3H,1-2H3
InChIKeyDSHNTROGJVRKOD-UHFFFAOYSA-N
XLogP2.80
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methylmethanamine;5-nitro-N-propylquinolin-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,N-dimethyl-3-[(5-nitroquinolin-4-yl)amino]propan-1-amine oxide;chloride;hydrochloride
CID 54608931
4,5-dinitro-N-propylnaphthalen-1-amine
CID 25215565
5-nitroquinolin-4-amine
CID 53439998
N-ethyl-5-nitroquinoline-4-carboxamide
CID 22083866
2-nitro-1-N,3-N-dipropylbenzene-1,3-diamine
CID 80765798
4-chloro-5-nitroquinoline
CID 12582845
8-nitro-N-pentan-3-ylquinolin-4-amine
CID 83060706
4-N-[3-(dimethylamino)propyl]-8-N-methyl-5-nitroquinoline-4,8-diamine;hydrochloride
CID 5388836
2-methyl-1-[(8-nitroquinolin-4-yl)amino]pentan-2-ol
CID 106290733
N-(2-methylbutyl)-8-nitroquinolin-4-amine
CID 83061235
5,7-dimethyl-N-propylquinolin-4-amine
CID 62190648
5-nitro-4-pyridin-3-ylquinoline
CID 175692098

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;5-nitro-N-propylquinolin-4-amine?
The IUPAC name of N-methylmethanamine;5-nitro-N-propylquinolin-4-amine (CID 69400759) is N-methylmethanamine;5-nitro-N-propylquinolin-4-amine.
What is the SMILES notation for N-methylmethanamine;5-nitro-N-propylquinolin-4-amine?
The canonical SMILES for N-methylmethanamine;5-nitro-N-propylquinolin-4-amine is CCCNc1ccnc2cccc([N+](=O)[O-])c12.CNC.
What is the InChIKey of N-methylmethanamine;5-nitro-N-propylquinolin-4-amine?
The InChIKey is DSHNTROGJVRKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2.C2H7N/c1-2-7-13-10-6-8-14-9-4-3-5-11(12(9)10)15(16)17;1-3-2/h3-6,8H,2,7H2,1H3,(H,13,14);3H,1-2H3.
What are the key properties of N-methylmethanamine;5-nitro-N-propylquinolin-4-amine?
N-methylmethanamine;5-nitro-N-propylquinolin-4-amine has a molecular weight of 276.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;5-nitro-N-propylquinolin-4-amine is sourced from PubChem (CID 69400759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).