N-[[5-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine

C16H23N3O — CID 62433273

IUPACN-[[5-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1coc(CN(C)Cc2ccncc2)c1
InChIInChI=1S/C16H23N3O/c1-13(2)18-9-15-8-16(20-12-15)11-19(3)10-14-4-6-17-7-5-14/h4-8,12-13,18H,9-11H2,1-3H3
InChIKeyCQBVUXACAYQUQD-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.80
Rot. Bonds7

About N-[[5-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine

N-[[5-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine (PubChem CID 62433273) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[5-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
PubChem CID62433273
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[[5-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1coc(CN(C)Cc2ccncc2)c1
InChIInChI=1S/C16H23N3O/c1-13(2)18-9-15-8-16(20-12-15)11-19(3)10-14-4-6-17-7-5-14/h4-8,12-13,18H,9-11H2,1-3H3
InChIKeyCQBVUXACAYQUQD-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine
CID 62420162
N,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]prop-2-en-1-amine
CID 113498791
N-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62432383
N-methyl-3-methylsulfanyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine
CID 114238247
N-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 80720176
N-[[5-[[benzyl(ethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62418480
1-[5-[[furan-3-ylmethyl(methyl)amino]methyl]furan-3-yl]-N-methylmethanamine
CID 62462911
N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 63274233
N-(2-methylpropyl)-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine
CID 79488811
N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 79481155
N-ethyl-3-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
CID 62428170
N-[[5-[[furan-3-ylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 55072380

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine (CID 62433273) is N-[[5-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine is CC(C)NCc1coc(CN(C)Cc2ccncc2)c1.
What is the InChIKey of N-[[5-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine?
The InChIKey is CQBVUXACAYQUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(2)18-9-15-8-16(20-12-15)11-19(3)10-14-4-6-17-7-5-14/h4-8,12-13,18H,9-11H2,1-3H3.
What are the key properties of N-[[5-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine?
N-[[5-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62433273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).