N-cyclopropyl-5-fluoro-N-methyl-3-(propylaminomethyl)pyridin-2-amine

C13H20FN3 — CID 114035229

IUPACN-cyclopropyl-5-fluoro-N-methyl-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cc(F)cnc1N(C)C1CC1
InChIInChI=1S/C13H20FN3/c1-3-6-15-8-10-7-11(14)9-16-13(10)17(2)12-4-5-12/h7,9,12,15H,3-6,8H2,1-2H3
InChIKeyRQLZJFQVWHVLOU-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.32
Rot. Bonds6

About N-cyclopropyl-5-fluoro-N-methyl-3-(propylaminomethyl)pyridin-2-amine

N-cyclopropyl-5-fluoro-N-methyl-3-(propylaminomethyl)pyridin-2-amine (PubChem CID 114035229) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is N-cyclopropyl-5-fluoro-N-methyl-3-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-fluoro-N-methyl-3-(propylaminomethyl)pyridin-2-amine
PubChem CID114035229
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC NameN-cyclopropyl-5-fluoro-N-methyl-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cc(F)cnc1N(C)C1CC1
InChIInChI=1S/C13H20FN3/c1-3-6-15-8-10-7-11(14)9-16-13(10)17(2)12-4-5-12/h7,9,12,15H,3-6,8H2,1-2H3
InChIKeyRQLZJFQVWHVLOU-UHFFFAOYSA-N
XLogP2.32
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(3,5-difluoro-2-pyridinyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 115993876
5-bromo-N-methyl-N-(oxolan-3-yl)-3-(propylaminomethyl)pyridin-2-amine
CID 82754864
5-bromo-3-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
CID 62287100
N,2-dimethyl-N-(4-methylcyclohexyl)-5-(propylaminomethyl)pyridin-4-amine
CID 81253096
N-methyl-N-(1-methylpiperidin-4-yl)-3-(propylaminomethyl)pyridin-2-amine
CID 62279254
5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 55059195
5-bromo-N-cyclohexyl-N-ethyl-3-(propylaminomethyl)pyridin-2-amine
CID 63487902
N'-(3,5-difluoro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine
CID 112676470
5-bromo-N-methyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine
CID 62285133
5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62279687
2-[N-cyclopropyl-4-fluoro-2-(propylaminomethyl)anilino]ethanol
CID 54994918
N-cyclopropyl-N-ethyl-4-(propylaminomethyl)isoquinolin-1-amine
CID 106775153

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-fluoro-N-methyl-3-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of N-cyclopropyl-5-fluoro-N-methyl-3-(propylaminomethyl)pyridin-2-amine (CID 114035229) is N-cyclopropyl-5-fluoro-N-methyl-3-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-cyclopropyl-5-fluoro-N-methyl-3-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-cyclopropyl-5-fluoro-N-methyl-3-(propylaminomethyl)pyridin-2-amine is CCCNCc1cc(F)cnc1N(C)C1CC1.
What is the InChIKey of N-cyclopropyl-5-fluoro-N-methyl-3-(propylaminomethyl)pyridin-2-amine?
The InChIKey is RQLZJFQVWHVLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c1-3-6-15-8-10-7-11(14)9-16-13(10)17(2)12-4-5-12/h7,9,12,15H,3-6,8H2,1-2H3.
What are the key properties of N-cyclopropyl-5-fluoro-N-methyl-3-(propylaminomethyl)pyridin-2-amine?
N-cyclopropyl-5-fluoro-N-methyl-3-(propylaminomethyl)pyridin-2-amine has a molecular weight of 237.32 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-fluoro-N-methyl-3-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 114035229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).