N-[[3-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]propan-1-amine

C17H24N2O2 — CID 62450050

IUPACN-[[3-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1COCCCc1ccncc1
InChIInChI=1S/C17H24N2O2/c1-2-8-19-13-17-16(7-12-21-17)14-20-11-3-4-15-5-9-18-10-6-15/h5-7,9-10,12,19H,2-4,8,11,13-14H2,1H3
InChIKeyXRTUZKXCNRCAJP-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.32
Rot. Bonds10

About N-[[3-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]propan-1-amine

N-[[3-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 62450050) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[[3-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID62450050
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[[3-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1COCCCc1ccncc1
InChIInChI=1S/C17H24N2O2/c1-2-8-19-13-17-16(7-12-21-17)14-20-11-3-4-15-5-9-18-10-6-15/h5-7,9-10,12,19H,2-4,8,11,13-14H2,1H3
InChIKeyXRTUZKXCNRCAJP-UHFFFAOYSA-N
XLogP3.32
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.32
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

N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 63490926
N-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62444510
N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445527
N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62442648
N-[[3-[(4-chlorophenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 65125363
N-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 62459353
N-[[3-(2-propoxyethoxymethyl)furan-2-yl]methyl]ethanamine
CID 63685510
N-[[2-(pent-4-enoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 79113962
N-[[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 80720966
N-[[3-methyl-5-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]ethanamine
CID 62450592
N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62455387
N-[[3-[(4-methoxyphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62459058

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]propan-1-amine (CID 62450050) is N-[[3-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1occc1COCCCc1ccncc1.
What is the InChIKey of N-[[3-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is XRTUZKXCNRCAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-8-19-13-17-16(7-12-21-17)14-20-11-3-4-15-5-9-18-10-6-15/h5-7,9-10,12,19H,2-4,8,11,13-14H2,1H3.
What are the key properties of N-[[3-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]propan-1-amine?
N-[[3-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 288.39 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62450050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).