N-(furan-3-ylmethyl)-3-methoxypropan-1-amine

C9H15NO2 — CID 62997873

IUPACN-(furan-3-ylmethyl)-3-methoxypropan-1-amine
SMILESCOCCCNCc1ccoc1
InChIInChI=1S/C9H15NO2/c1-11-5-2-4-10-7-9-3-6-12-8-9/h3,6,8,10H,2,4-5,7H2,1H3
InChIKeyIDWJFLKYLIEXQM-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.41
Rot. Bonds6

About N-(furan-3-ylmethyl)-3-methoxypropan-1-amine

N-(furan-3-ylmethyl)-3-methoxypropan-1-amine (PubChem CID 62997873) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-3-methoxypropan-1-amine
PubChem CID62997873
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-(furan-3-ylmethyl)-3-methoxypropan-1-amine
SMILESCOCCCNCc1ccoc1
InChIInChI=1S/C9H15NO2/c1-11-5-2-4-10-7-9-3-6-12-8-9/h3,6,8,10H,2,4-5,7H2,1H3
InChIKeyIDWJFLKYLIEXQM-UHFFFAOYSA-N
XLogP1.41
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-(furan-3-ylmethyl)propan-1-amine
CID 62997867
N-(furan-3-ylmethyl)-2-[4-(2-methoxyethyl)phenoxy]ethanamine
CID 62598072
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560326
4,4,4-trifluoro-N-(furan-3-ylmethyl)butan-1-amine
CID 79038889
N-(furan-3-ylmethyl)-N'-(2-methoxypropyl)ethane-1,2-diamine
CID 102700858
1-(furan-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 115735952
2-[2-(furan-3-ylmethylamino)ethoxy]ethanol
CID 63032955
5-(furan-3-ylmethylamino)pentanenitrile
CID 115611430
4-(furan-3-ylmethylamino)-N-methylbutanamide
CID 115607627
N-[(4-chlorophenyl)methyl]-3-methoxypropan-1-amine;hydrochloride
CID 17206437
N-(furan-3-ylmethyl)hept-6-en-1-amine
CID 107007166

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-3-methoxypropan-1-amine?
The IUPAC name of N-(furan-3-ylmethyl)-3-methoxypropan-1-amine (CID 62997873) is N-(furan-3-ylmethyl)-3-methoxypropan-1-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-3-methoxypropan-1-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-3-methoxypropan-1-amine is COCCCNCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-3-methoxypropan-1-amine?
The InChIKey is IDWJFLKYLIEXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-11-5-2-4-10-7-9-3-6-12-8-9/h3,6,8,10H,2,4-5,7H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-3-methoxypropan-1-amine?
N-(furan-3-ylmethyl)-3-methoxypropan-1-amine has a molecular weight of 169.22 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-3-methoxypropan-1-amine is sourced from PubChem (CID 62997873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).