N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine

C9H16N2O — CID 60889681

IUPACN'-[1-(furan-2-yl)ethyl]propane-1,3-diamine
SMILESCC(NCCCN)c1ccco1
InChIInChI=1S/C9H16N2O/c1-8(11-6-3-5-10)9-4-2-7-12-9/h2,4,7-8,11H,3,5-6,10H2,1H3
InChIKeyJBVAFWUTSZEPIR-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.28
Rot. Bonds5

About N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine

N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine (PubChem CID 60889681) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(furan-2-yl)ethyl]propane-1,3-diamine
PubChem CID60889681
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN'-[1-(furan-2-yl)ethyl]propane-1,3-diamine
SMILESCC(NCCCN)c1ccco1
InChIInChI=1S/C9H16N2O/c1-8(11-6-3-5-10)9-4-2-7-12-9/h2,4,7-8,11H,3,5-6,10H2,1H3
InChIKeyJBVAFWUTSZEPIR-UHFFFAOYSA-N
XLogP1.28
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
CID 28714744
N-[1-(furan-2-yl)ethyl]nonan-1-amine
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N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine
CID 81403081
4-[[(1S)-1-(furan-2-yl)ethyl]amino]butanenitrile
CID 81401126
N-[1-(furan-2-yl)ethyl]-3-methoxypropan-1-amine
CID 43205063
5-[1-(furan-2-yl)ethylamino]pentanenitrile
CID 60698105
N-[1-(furan-2-yl)ethyl]-4-phenylbutan-1-amine
CID 115708089
1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60721044
N'-[1-(furan-2-yl)propyl]butane-1,4-diamine
CID 62633443
N-[(1S)-1-(furan-2-yl)ethyl]but-3-yn-1-amine
CID 81399861
(1S)-N-(2-ethoxyethyl)-1-(furan-2-yl)ethanamine
CID 81399975
6-[1-(furan-2-yl)ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711078

Frequently Asked Questions

What is the IUPAC name of N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine?
The IUPAC name of N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine (CID 60889681) is N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine is CC(NCCCN)c1ccco1.
What is the InChIKey of N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine?
The InChIKey is JBVAFWUTSZEPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8(11-6-3-5-10)9-4-2-7-12-9/h2,4,7-8,11H,3,5-6,10H2,1H3.
What are the key properties of N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine?
N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine has a molecular weight of 168.24 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 60889681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).