N-ethyl-1-(furan-2-yl)-N-propylethane-1,2-diamine

C11H20N2O — CID 43268649

IUPACN-ethyl-1-(furan-2-yl)-N-propylethane-1,2-diamine
SMILESCCCN(CC)C(CN)c1ccco1
InChIInChI=1S/C11H20N2O/c1-3-7-13(4-2)10(9-12)11-6-5-8-14-11/h5-6,8,10H,3-4,7,9,12H2,1-2H3
InChIKeyBSHMGCHGZDKRJL-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.01
Rot. Bonds6

About N-ethyl-1-(furan-2-yl)-N-propylethane-1,2-diamine

N-ethyl-1-(furan-2-yl)-N-propylethane-1,2-diamine (PubChem CID 43268649) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-ethyl-1-(furan-2-yl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-1-(furan-2-yl)-N-propylethane-1,2-diamine
PubChem CID43268649
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-ethyl-1-(furan-2-yl)-N-propylethane-1,2-diamine
SMILESCCCN(CC)C(CN)c1ccco1
InChIInChI=1S/C11H20N2O/c1-3-7-13(4-2)10(9-12)11-6-5-8-14-11/h5-6,8,10H,3-4,7,9,12H2,1-2H3
InChIKeyBSHMGCHGZDKRJL-UHFFFAOYSA-N
XLogP2.01
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Furanmethanaminium, N,N,N-trimethyl-, iodide (1:1)
CID 10937
2-(5-Methyl-2-furanyl)pyrrolidine
CID 4715419
N,N,N-Trimethyl-2-furanmethanaminium
CID 10938
Furfurylamine, alpha-benzyl-N-ethyl-
CID 52652
2-(Furan-2-yl)pyrrolidine
CID 3675988
2-(Furan-2-yl)piperidine
CID 4715025
N-Methylfurfurylamine
CID 78492
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11475093
3-Cyclobutene-1,2-dione, 3-(methylamino)-4-((2-(((5-(1-piperidinylmethyl)-2-furanyl)methyl)amino)ethyl)amino)-
CID 3077650
N-[(5-methyl-2-furyl)methyl]ethanamine
CID 4777647
N-(2-oxo-3-azepanyl)-2-furamide
CID 2813196
N-[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 9360813

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(furan-2-yl)-N-propylethane-1,2-diamine?
The IUPAC name of N-ethyl-1-(furan-2-yl)-N-propylethane-1,2-diamine (CID 43268649) is N-ethyl-1-(furan-2-yl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N-ethyl-1-(furan-2-yl)-N-propylethane-1,2-diamine?
The canonical SMILES for N-ethyl-1-(furan-2-yl)-N-propylethane-1,2-diamine is CCCN(CC)C(CN)c1ccco1.
What is the InChIKey of N-ethyl-1-(furan-2-yl)-N-propylethane-1,2-diamine?
The InChIKey is BSHMGCHGZDKRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-7-13(4-2)10(9-12)11-6-5-8-14-11/h5-6,8,10H,3-4,7,9,12H2,1-2H3.
What are the key properties of N-ethyl-1-(furan-2-yl)-N-propylethane-1,2-diamine?
N-ethyl-1-(furan-2-yl)-N-propylethane-1,2-diamine has a molecular weight of 196.29 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(furan-2-yl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 43268649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).