N'-butyl-N'-ethyl-N-[1-(furan-2-yl)ethyl]ethane-1,2-diamine

C14H26N2O — CID 62575573

IUPACN'-butyl-N'-ethyl-N-[1-(furan-2-yl)ethyl]ethane-1,2-diamine
SMILESCCCCN(CC)CCNC(C)c1ccco1
InChIInChI=1S/C14H26N2O/c1-4-6-10-16(5-2)11-9-15-13(3)14-8-7-12-17-14/h7-8,12-13,15H,4-6,9-11H2,1-3H3
InChIKeyFEJLETIRKAYXDL-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.05
Rot. Bonds9

About N'-butyl-N'-ethyl-N-[1-(furan-2-yl)ethyl]ethane-1,2-diamine

N'-butyl-N'-ethyl-N-[1-(furan-2-yl)ethyl]ethane-1,2-diamine (PubChem CID 62575573) has the molecular formula C14H26N2O and a molecular weight of 238.38 g/mol. Its IUPAC name is N'-butyl-N'-ethyl-N-[1-(furan-2-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butyl-N'-ethyl-N-[1-(furan-2-yl)ethyl]ethane-1,2-diamine
PubChem CID62575573
Molecular FormulaC14H26N2O
Molecular Weight238.38 g/mol
Exact Mass238.20
IUPAC NameN'-butyl-N'-ethyl-N-[1-(furan-2-yl)ethyl]ethane-1,2-diamine
SMILESCCCCN(CC)CCNC(C)c1ccco1
InChIInChI=1S/C14H26N2O/c1-4-6-10-16(5-2)11-9-15-13(3)14-8-7-12-17-14/h7-8,12-13,15H,4-6,9-11H2,1-3H3
InChIKeyFEJLETIRKAYXDL-UHFFFAOYSA-N
XLogP3.05
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-N-[1-(furan-2-yl)ethyl]-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 62554463
N-[1-(furan-2-yl)ethyl]nonan-1-amine
CID 43535684
N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine
CID 81403081
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-propylethane-1,2-diamine
CID 62560734
3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
CID 28714744
N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine
CID 60889681
N'-cyclopentyl-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
CID 55138698
N-[1-(furan-2-yl)ethyl]-3-methoxypropan-1-amine
CID 43205063
(1S)-N-(2-ethoxyethyl)-1-(furan-2-yl)ethanamine
CID 81399975
4-[[(1S)-1-(furan-2-yl)ethyl]amino]butanenitrile
CID 81401126
N'-dodecyl-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 63528013
1-(furan-2-yl)-N-(2-pentan-2-yloxyethyl)ethanamine
CID 102987416

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-ethyl-N-[1-(furan-2-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-butyl-N'-ethyl-N-[1-(furan-2-yl)ethyl]ethane-1,2-diamine (CID 62575573) is N'-butyl-N'-ethyl-N-[1-(furan-2-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-butyl-N'-ethyl-N-[1-(furan-2-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-butyl-N'-ethyl-N-[1-(furan-2-yl)ethyl]ethane-1,2-diamine is CCCCN(CC)CCNC(C)c1ccco1.
What is the InChIKey of N'-butyl-N'-ethyl-N-[1-(furan-2-yl)ethyl]ethane-1,2-diamine?
The InChIKey is FEJLETIRKAYXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-6-10-16(5-2)11-9-15-13(3)14-8-7-12-17-14/h7-8,12-13,15H,4-6,9-11H2,1-3H3.
What are the key properties of N'-butyl-N'-ethyl-N-[1-(furan-2-yl)ethyl]ethane-1,2-diamine?
N'-butyl-N'-ethyl-N-[1-(furan-2-yl)ethyl]ethane-1,2-diamine has a molecular weight of 238.38 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-ethyl-N-[1-(furan-2-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 62575573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).