N'-cyclopropyl-N'-ethyl-N-[(5-ethylfuran-2-yl)methyl]ethane-1,2-diamine

C14H24N2O — CID 113257663

IUPACN'-cyclopropyl-N'-ethyl-N-[(5-ethylfuran-2-yl)methyl]ethane-1,2-diamine
SMILESCCc1ccc(CNCCN(CC)C2CC2)o1
InChIInChI=1S/C14H24N2O/c1-3-13-7-8-14(17-13)11-15-9-10-16(4-2)12-5-6-12/h7-8,12,15H,3-6,9-11H2,1-2H3
InChIKeySXRYQTIBEDOEFV-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.42
Rot. Bonds8

About N'-cyclopropyl-N'-ethyl-N-[(5-ethylfuran-2-yl)methyl]ethane-1,2-diamine

N'-cyclopropyl-N'-ethyl-N-[(5-ethylfuran-2-yl)methyl]ethane-1,2-diamine (PubChem CID 113257663) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-cyclopropyl-N'-ethyl-N-[(5-ethylfuran-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-ethyl-N-[(5-ethylfuran-2-yl)methyl]ethane-1,2-diamine
PubChem CID113257663
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN'-cyclopropyl-N'-ethyl-N-[(5-ethylfuran-2-yl)methyl]ethane-1,2-diamine
SMILESCCc1ccc(CNCCN(CC)C2CC2)o1
InChIInChI=1S/C14H24N2O/c1-3-13-7-8-14(17-13)11-15-9-10-16(4-2)12-5-6-12/h7-8,12,15H,3-6,9-11H2,1-2H3
InChIKeySXRYQTIBEDOEFV-UHFFFAOYSA-N
XLogP2.42
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.42
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

N-[(5-bromothiophen-2-yl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 103637840
N'-cyclopropyl-N'-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 62976641
N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 106094078
3-cyclopentyl-N-[(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 114136736
5-[[2-[cyclopropyl(ethyl)amino]ethylamino]methyl]thiophene-2-carbonitrile
CID 113250087
N'-cyclopropyl-N'-ethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 103637921
N-[(3-chlorophenyl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 103637908
N'-cyclopropyl-N'-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]ethane-1,2-diamine
CID 103726688
N'-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103637912
N-ethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopentanamine
CID 62422313
N-[(2-bromo-4-methylphenyl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 103844980
3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol
CID 62346673

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-ethyl-N-[(5-ethylfuran-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-ethyl-N-[(5-ethylfuran-2-yl)methyl]ethane-1,2-diamine (CID 113257663) is N'-cyclopropyl-N'-ethyl-N-[(5-ethylfuran-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-ethyl-N-[(5-ethylfuran-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-ethyl-N-[(5-ethylfuran-2-yl)methyl]ethane-1,2-diamine is CCc1ccc(CNCCN(CC)C2CC2)o1.
What is the InChIKey of N'-cyclopropyl-N'-ethyl-N-[(5-ethylfuran-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is SXRYQTIBEDOEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-13-7-8-14(17-13)11-15-9-10-16(4-2)12-5-6-12/h7-8,12,15H,3-6,9-11H2,1-2H3.
What are the key properties of N'-cyclopropyl-N'-ethyl-N-[(5-ethylfuran-2-yl)methyl]ethane-1,2-diamine?
N'-cyclopropyl-N'-ethyl-N-[(5-ethylfuran-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-ethyl-N-[(5-ethylfuran-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 113257663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).