N'-[1-(furan-2-yl)propyl]butane-1,4-diamine

C11H20N2O — CID 62633443

IUPACN'-[1-(furan-2-yl)propyl]butane-1,4-diamine
SMILESCCC(NCCCCN)c1ccco1
InChIInChI=1S/C11H20N2O/c1-2-10(11-6-5-9-14-11)13-8-4-3-7-12/h5-6,9-10,13H,2-4,7-8,12H2,1H3
InChIKeyOWLOOASJGATDLN-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.06
Rot. Bonds7

About N'-[1-(furan-2-yl)propyl]butane-1,4-diamine

N'-[1-(furan-2-yl)propyl]butane-1,4-diamine (PubChem CID 62633443) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N'-[1-(furan-2-yl)propyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[1-(furan-2-yl)propyl]butane-1,4-diamine
PubChem CID62633443
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN'-[1-(furan-2-yl)propyl]butane-1,4-diamine
SMILESCCC(NCCCCN)c1ccco1
InChIInChI=1S/C11H20N2O/c1-2-10(11-6-5-9-14-11)13-8-4-3-7-12/h5-6,9-10,13H,2-4,7-8,12H2,1H3
InChIKeyOWLOOASJGATDLN-UHFFFAOYSA-N
XLogP2.06
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.06
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

N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine
CID 62633441
N-[1-(furan-2-yl)propyl]-4-propan-2-yloxybutan-1-amine
CID 106007637
1-(furan-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62632133
N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine
CID 60889681
N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 55097343
2-[1-(furan-2-yl)propylamino]ethylurea
CID 83109971
N-ethyl-N-[3-[1-(furan-2-yl)propylamino]propyl]methanesulfonamide
CID 55098017
N-(2-cyclopentylethyl)-1-(furan-2-yl)propan-1-amine
CID 62633625
2-[2-[1-(furan-2-yl)propylamino]ethoxy]acetamide
CID 106235398
N'-(1-phenylpropyl)propane-1,3-diamine
CID 60889497
N-[2-(cyclopenten-1-yl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 106169372
3-[1-(furan-2-yl)propylamino]-N-propan-2-ylpropanamide
CID 113409686

Frequently Asked Questions

What is the IUPAC name of N'-[1-(furan-2-yl)propyl]butane-1,4-diamine?
The IUPAC name of N'-[1-(furan-2-yl)propyl]butane-1,4-diamine (CID 62633443) is N'-[1-(furan-2-yl)propyl]butane-1,4-diamine.
What is the SMILES notation for N'-[1-(furan-2-yl)propyl]butane-1,4-diamine?
The canonical SMILES for N'-[1-(furan-2-yl)propyl]butane-1,4-diamine is CCC(NCCCCN)c1ccco1.
What is the InChIKey of N'-[1-(furan-2-yl)propyl]butane-1,4-diamine?
The InChIKey is OWLOOASJGATDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-10(11-6-5-9-14-11)13-8-4-3-7-12/h5-6,9-10,13H,2-4,7-8,12H2,1H3.
What are the key properties of N'-[1-(furan-2-yl)propyl]butane-1,4-diamine?
N'-[1-(furan-2-yl)propyl]butane-1,4-diamine has a molecular weight of 196.29 g/mol, XLogP of 2.06, 7 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)propyl]butane-1,4-diamine is sourced from PubChem (CID 62633443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).