N-[2-(diethylamino)ethyl]-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine

C14H27N3O — CID 62557516

IUPACN-[2-(diethylamino)ethyl]-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCCN(CC)CCNCCN(C)Cc1ccoc1
InChIInChI=1S/C14H27N3O/c1-4-17(5-2)10-8-15-7-9-16(3)12-14-6-11-18-13-14/h6,11,13,15H,4-5,7-10,12H2,1-3H3
InChIKeyJFJWSIHVUVCBAR-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.64
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine

N-[2-(diethylamino)ethyl]-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine (PubChem CID 62557516) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
PubChem CID62557516
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-[2-(diethylamino)ethyl]-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCCN(CC)CCNCCN(C)Cc1ccoc1
InChIInChI=1S/C14H27N3O/c1-4-17(5-2)10-8-15-7-9-16(3)12-14-6-11-18-13-14/h6,11,13,15H,4-5,7-10,12H2,1-3H3
InChIKeyJFJWSIHVUVCBAR-UHFFFAOYSA-N
XLogP1.64
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 62574688
N'-[(4-bromophenyl)methyl]-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 62556567
N-(furan-2-ylmethyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 62558206
N'-ethyl-N-(furan-3-ylmethyl)-N'-propylethane-1,2-diamine
CID 62575992
N'-(furan-3-ylmethyl)-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62558554
N'-(furan-3-ylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62557513
3-chloro-N-(furan-3-ylmethyl)-N-methylpropan-1-amine
CID 61422654
N-tert-butyl-N'-(furan-3-ylmethyl)-N'-methylbutane-1,4-diamine
CID 55072235
N-(2-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 55089307
methyl 3-[ethyl(furan-3-ylmethyl)amino]propanoate
CID 78918049
N-(3-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 62558207
N'-[(5-chlorothiophen-2-yl)methyl]-N-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 62555017

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-[2-(diethylamino)ethyl]-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine (CID 62557516) is N-[2-(diethylamino)ethyl]-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine is CCN(CC)CCNCCN(C)Cc1ccoc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine?
The InChIKey is JFJWSIHVUVCBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-17(5-2)10-8-15-7-9-16(3)12-14-6-11-18-13-14/h6,11,13,15H,4-5,7-10,12H2,1-3H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine?
N-[2-(diethylamino)ethyl]-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine has a molecular weight of 253.39 g/mol, XLogP of 1.64, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62557516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).