4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methoxypentane-1,4-diamine

C13H24N2O2 — CID 103391763

IUPAC4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methoxypentane-1,4-diamine
SMILESCCN(Cc1ccco1)C(CCCN)COC
InChIInChI=1S/C13H24N2O2/c1-3-15(10-13-7-5-9-17-13)12(11-16-2)6-4-8-14/h5,7,9,12H,3-4,6,8,10-11,14H2,1-2H3
InChIKeyGEOXMHIXILTCLY-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.86
Rot. Bonds9

About 4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methoxypentane-1,4-diamine

4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methoxypentane-1,4-diamine (PubChem CID 103391763) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methoxypentane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methoxypentane-1,4-diamine
PubChem CID103391763
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methoxypentane-1,4-diamine
SMILESCCN(Cc1ccco1)C(CCCN)COC
InChIInChI=1S/C13H24N2O2/c1-3-15(10-13-7-5-9-17-13)12(11-16-2)6-4-8-14/h5,7,9,12H,3-4,6,8,10-11,14H2,1-2H3
InChIKeyGEOXMHIXILTCLY-UHFFFAOYSA-N
XLogP1.86
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,4-N-diethyl-5-methoxypentane-1,4-diamine
CID 103391611
2-N-ethyl-2-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
CID 61423061
2-N,2-N-bis(furan-2-ylmethyl)propane-1,2-diamine
CID 174709691
4-[1-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline
CID 61423197
1-(2,6-difluorophenyl)-N-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 61423699
3-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-propylbutane-1,3-diamine
CID 62461756
2-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62569524
2-N-ethyl-2-N-(furan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62569627
2-[ethyl(furan-2-ylmethyl)amino]butanehydrazide
CID 63579097
propan-2-yl N-ethyl-N-(furan-2-ylmethyl)carbamate
CID 116654523
(2S)-1-[furan-2-ylmethyl(3-methoxypropyl)amino]pentan-2-ol
CID 93161280
N-ethyl-N-(furan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 61423393

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methoxypentane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methoxypentane-1,4-diamine (CID 103391763) is 4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methoxypentane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methoxypentane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methoxypentane-1,4-diamine is CCN(Cc1ccco1)C(CCCN)COC.
What is the InChIKey of 4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methoxypentane-1,4-diamine?
The InChIKey is GEOXMHIXILTCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-15(10-13-7-5-9-17-13)12(11-16-2)6-4-8-14/h5,7,9,12H,3-4,6,8,10-11,14H2,1-2H3.
What are the key properties of 4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methoxypentane-1,4-diamine?
4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methoxypentane-1,4-diamine has a molecular weight of 240.35 g/mol, XLogP of 1.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methoxypentane-1,4-diamine is sourced from PubChem (CID 103391763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).