N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine

C16H23N3O — CID 62280099

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cccc(N(C)Cc2ccc(C)o2)n1
InChIInChI=1S/C16H23N3O/c1-4-10-17-11-14-6-5-7-16(18-14)19(3)12-15-9-8-13(2)20-15/h5-9,17H,4,10-12H2,1-3H3
InChIKeyODEPYBFOEOFHAC-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.12
Rot. Bonds7

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine

N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine (PubChem CID 62280099) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine
PubChem CID62280099
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cccc(N(C)Cc2ccc(C)o2)n1
InChIInChI=1S/C16H23N3O/c1-4-10-17-11-14-6-5-7-16(18-14)19(3)12-15-9-8-13(2)20-15/h5-9,17H,4,10-12H2,1-3H3
InChIKeyODEPYBFOEOFHAC-UHFFFAOYSA-N
XLogP3.12
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-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-[(5-chlorothiophen-2-yl)methyl]-N-methyl-6-(propylaminomethyl)pyridin-2-amine
CID 62282523
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propylaminomethyl)aniline
CID 43526465
N-[(2-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyridin-2-amine
CID 62292841
2-N,6-N-dimethyl-6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine
CID 80781469
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine
CID 62279941
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5-(propylaminomethyl)pyridin-4-amine
CID 81249049
3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine
CID 105389063
6-(ethylaminomethyl)-N-methyl-N-propylpyridin-2-amine
CID 62279844
N-[[2-methyl-5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62420974
N-cyclopentyl-N-methyl-6-(propylaminomethyl)pyridin-2-amine
CID 62278994
N-butyl-N-ethyl-6-(propylaminomethyl)pyridin-2-amine
CID 62286174

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine (CID 62280099) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine is CCCNCc1cccc(N(C)Cc2ccc(C)o2)n1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine?
The InChIKey is ODEPYBFOEOFHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-10-17-11-14-6-5-7-16(18-14)19(3)12-15-9-8-13(2)20-15/h5-9,17H,4,10-12H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine has a molecular weight of 273.38 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62280099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).