N'-(furan-2-ylmethyl)-N'-(3-methoxypropyl)propane-1,3-diamine

C12H22N2O2 — CID 2239912

IUPACN'-(furan-2-ylmethyl)-N'-(3-methoxypropyl)propane-1,3-diamine
SMILESCOCCCN(CCCN)Cc1ccco1
InChIInChI=1S/C12H22N2O2/c1-15-9-4-8-14(7-3-6-13)11-12-5-2-10-16-12/h2,5,10H,3-4,6-9,11,13H2,1H3
InChIKeyNNEIPPGWCDZOCN-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.47
Rot. Bonds9

About N'-(furan-2-ylmethyl)-N'-(3-methoxypropyl)propane-1,3-diamine

N'-(furan-2-ylmethyl)-N'-(3-methoxypropyl)propane-1,3-diamine (PubChem CID 2239912) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)-N'-(3-methoxypropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)-N'-(3-methoxypropyl)propane-1,3-diamine
PubChem CID2239912
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN'-(furan-2-ylmethyl)-N'-(3-methoxypropyl)propane-1,3-diamine
SMILESCOCCCN(CCCN)Cc1ccco1
InChIInChI=1S/C12H22N2O2/c1-15-9-4-8-14(7-3-6-13)11-12-5-2-10-16-12/h2,5,10H,3-4,6-9,11,13H2,1H3
InChIKeyNNEIPPGWCDZOCN-UHFFFAOYSA-N
XLogP1.47
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(furan-2-ylmethyl)-N'-(3-methoxypropyl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Furfurylamine
CID 3438
1-(2-Furoyl)piperazine
CID 550206
2-Furanmethanaminium, N,N,N-trimethyl-, iodide (1:1)
CID 10937
5-Methylfurtrethonium
CID 4141
5-(2-Furylmethyl)-1,3,5-triazinane-2-thione
CID 929663
2-Furanmethanaminium, N,N,N,5-tetramethyl-, iodide (1:1)
CID 70973
Furfurylamphetamine
CID 18116
[(Furan-2-yl)methyl]urea
CID 587724
n-(2-Furylmethyl)-2-phenoxyacetamide
CID 240163
N-(2-Furoyl)glycine methyl ester
CID 518748
N-Methylfurfurylamine
CID 78492
5-(((2-Aminoethyl)thio)methyl)-N,N-dimethyl-2-furanmethanamine
CID 162203

Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-ylmethyl)-N'-(3-methoxypropyl)propane-1,3-diamine?
The IUPAC name of N'-(furan-2-ylmethyl)-N'-(3-methoxypropyl)propane-1,3-diamine (CID 2239912) is N'-(furan-2-ylmethyl)-N'-(3-methoxypropyl)propane-1,3-diamine.
What is the SMILES notation for N'-(furan-2-ylmethyl)-N'-(3-methoxypropyl)propane-1,3-diamine?
The canonical SMILES for N'-(furan-2-ylmethyl)-N'-(3-methoxypropyl)propane-1,3-diamine is COCCCN(CCCN)Cc1ccco1.
What is the InChIKey of N'-(furan-2-ylmethyl)-N'-(3-methoxypropyl)propane-1,3-diamine?
The InChIKey is NNEIPPGWCDZOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-15-9-4-8-14(7-3-6-13)11-12-5-2-10-16-12/h2,5,10H,3-4,6-9,11,13H2,1H3.
What are the key properties of N'-(furan-2-ylmethyl)-N'-(3-methoxypropyl)propane-1,3-diamine?
N'-(furan-2-ylmethyl)-N'-(3-methoxypropyl)propane-1,3-diamine has a molecular weight of 226.32 g/mol, XLogP of 1.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)-N'-(3-methoxypropyl)propane-1,3-diamine is sourced from PubChem (CID 2239912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).