N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-propylethane-1,2-diamine

C12H22N2O — CID 62560734

IUPACN-[1-(furan-2-yl)ethyl]-N'-methyl-N'-propylethane-1,2-diamine
SMILESCCCN(C)CCNC(C)c1ccco1
InChIInChI=1S/C12H22N2O/c1-4-8-14(3)9-7-13-11(2)12-6-5-10-15-12/h5-6,10-11,13H,4,7-9H2,1-3H3
InChIKeyKQIXWAFYKLMUSO-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.27
Rot. Bonds7

About N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-propylethane-1,2-diamine

N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-propylethane-1,2-diamine (PubChem CID 62560734) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-N'-methyl-N'-propylethane-1,2-diamine
PubChem CID62560734
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[1-(furan-2-yl)ethyl]-N'-methyl-N'-propylethane-1,2-diamine
SMILESCCCN(C)CCNC(C)c1ccco1
InChIInChI=1S/C12H22N2O/c1-4-8-14(3)9-7-13-11(2)12-6-5-10-15-12/h5-6,10-11,13H,4,7-9H2,1-3H3
InChIKeyKQIXWAFYKLMUSO-UHFFFAOYSA-N
XLogP2.27
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
CID 62557968
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 62573599
N'-butyl-N'-ethyl-N-[1-(furan-2-yl)ethyl]ethane-1,2-diamine
CID 62575573
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62556302
N-[1-(furan-2-yl)ethyl]nonan-1-amine
CID 43535684
N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine
CID 81403081
N'-cyclopentyl-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
CID 55138698
N'-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
CID 62555893
1-(furan-2-yl)-N'-[1-(furan-2-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202373
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55088903
N-[1-(furan-2-yl)ethyl]-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62557270
N'-ethyl-N-[1-(furan-2-yl)ethyl]-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 62554463

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-propylethane-1,2-diamine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-propylethane-1,2-diamine (CID 62560734) is N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-propylethane-1,2-diamine is CCCN(C)CCNC(C)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-propylethane-1,2-diamine?
The InChIKey is KQIXWAFYKLMUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-8-14(3)9-7-13-11(2)12-6-5-10-15-12/h5-6,10-11,13H,4,7-9H2,1-3H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-propylethane-1,2-diamine?
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-propylethane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62560734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).