N-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methyl]propan-1-amine

C16H28N2O2 — CID 62459353

IUPACN-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1COCCC1CCCN1C
InChIInChI=1S/C16H28N2O2/c1-3-8-17-12-16-14(6-11-20-16)13-19-10-7-15-5-4-9-18(15)2/h6,11,15,17H,3-5,7-10,12-13H2,1-2H3
InChIKeyCXJBEVYRDPOWQR-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.78
Rot. Bonds9

About N-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methyl]propan-1-amine

N-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 62459353) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methyl]propan-1-amine
PubChem CID62459353
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1COCCC1CCCN1C
InChIInChI=1S/C16H28N2O2/c1-3-8-17-12-16-14(6-11-20-16)13-19-10-7-15-5-4-9-18(15)2/h6,11,15,17H,3-5,7-10,12-13H2,1-2H3
InChIKeyCXJBEVYRDPOWQR-UHFFFAOYSA-N
XLogP2.78
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.78
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-methyl-1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methanamine
CID 62459180
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-[(2-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 83061390
N-[[2-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62458419
N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62442648
N-[[3-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62450050
N-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62424704
N-[[3-[(4-chlorophenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 65125363
N-[[3-(2-propoxyethoxymethyl)furan-2-yl]methyl]ethanamine
CID 63685510
N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-1-amine
CID 62323923

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methyl]propan-1-amine (CID 62459353) is N-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methyl]propan-1-amine is CCCNCc1occc1COCCC1CCCN1C.
What is the InChIKey of N-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is CXJBEVYRDPOWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-8-17-12-16-14(6-11-20-16)13-19-10-7-15-5-4-9-18(15)2/h6,11,15,17H,3-5,7-10,12-13H2,1-2H3.
What are the key properties of N-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methyl]propan-1-amine?
N-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 280.41 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62459353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).