N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine

C16H23N3O — CID 62279941

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cccnc1N(C)Cc1ccc(C)o1
InChIInChI=1S/C16H23N3O/c1-4-9-17-11-14-6-5-10-18-16(14)19(3)12-15-8-7-13(2)20-15/h5-8,10,17H,4,9,11-12H2,1-3H3
InChIKeyGUTCTCJXFACWHR-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.12
Rot. Bonds7

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine

N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine (PubChem CID 62279941) 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]-3-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine
PubChem CID62279941
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cccnc1N(C)Cc1ccc(C)o1
InChIInChI=1S/C16H23N3O/c1-4-9-17-11-14-6-5-10-18-16(14)19(3)12-15-8-7-13(2)20-15/h5-8,10,17H,4,9,11-12H2,1-3H3
InChIKeyGUTCTCJXFACWHR-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'}

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Related Compounds

3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine
CID 105389063
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62279942
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propylaminomethyl)aniline
CID 43526465
N-ethyl-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 62280397
N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5-(propylaminomethyl)pyridin-4-amine
CID 81249049
N-methyl-3-(propylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 62283787
3-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine
CID 55211030
N-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 62284189
N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine
CID 62280099
N-[[2-methyl-5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62420974
N-methyl-N-(2-methylsulfonylethyl)-3-(propylaminomethyl)pyridin-2-amine
CID 79858850
N-methyl-N-(2-methylphenyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62294632

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine (CID 62279941) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine is CCCNCc1cccnc1N(C)Cc1ccc(C)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine?
The InChIKey is GUTCTCJXFACWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-9-17-11-14-6-5-10-18-16(14)19(3)12-15-8-7-13(2)20-15/h5-8,10,17H,4,9,11-12H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(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]-3-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62279941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).