1-(furan-3-yl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)ethane-1,2-diamine

C13H24N2O3 — CID 63207898

IUPAC1-(furan-3-yl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)ethane-1,2-diamine
SMILESCOCCCN(CCOC)C(CN)c1ccoc1
InChIInChI=1S/C13H24N2O3/c1-16-7-3-5-15(6-9-17-2)13(10-14)12-4-8-18-11-12/h4,8,11,13H,3,5-7,9-10,14H2,1-2H3
InChIKeyHLPMEAQSVDRCCQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.26
Rot. Bonds10

About 1-(furan-3-yl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)ethane-1,2-diamine

1-(furan-3-yl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)ethane-1,2-diamine (PubChem CID 63207898) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)ethane-1,2-diamine
PubChem CID63207898
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-(furan-3-yl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)ethane-1,2-diamine
SMILESCOCCCN(CCOC)C(CN)c1ccoc1
InChIInChI=1S/C13H24N2O3/c1-16-7-3-5-15(6-9-17-2)13(10-14)12-4-8-18-11-12/h4,8,11,13H,3,5-7,9-10,14H2,1-2H3
InChIKeyHLPMEAQSVDRCCQ-UHFFFAOYSA-N
XLogP1.26
TPSA60.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-3-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 63208600
N,N-bis(2-methoxyethyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 60709846
N-ethyl-1-(furan-3-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 63208197
1-(furan-3-yl)-N-methyl-N-pentylethane-1,2-diamine
CID 63208199
N,N-bis(2-methoxyethyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 63052111
1-(furan-3-yl)-2-methoxyethanamine
CID 63948777
1-(3-bromo-4-fluorophenyl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
CID 60893474
N-butyl-N-cyclopropyl-1-(furan-3-yl)ethane-1,2-diamine
CID 63208501
1-(3,5-dimethylphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 62984275
N-(cyclobutylmethyl)-N-ethyl-1-(furan-3-yl)ethane-1,2-diamine
CID 107397834
N,N-bis(2-methoxyethyl)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 60709829
2-[2-amino-1-[bis(2-methoxyethyl)amino]ethyl]phenol
CID 82042898

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)ethane-1,2-diamine?
The IUPAC name of 1-(furan-3-yl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)ethane-1,2-diamine (CID 63207898) is 1-(furan-3-yl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(furan-3-yl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)ethane-1,2-diamine?
The canonical SMILES for 1-(furan-3-yl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)ethane-1,2-diamine is COCCCN(CCOC)C(CN)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)ethane-1,2-diamine?
The InChIKey is HLPMEAQSVDRCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-16-7-3-5-15(6-9-17-2)13(10-14)12-4-8-18-11-12/h4,8,11,13H,3,5-7,9-10,14H2,1-2H3.
What are the key properties of 1-(furan-3-yl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)ethane-1,2-diamine?
1-(furan-3-yl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)ethane-1,2-diamine has a molecular weight of 256.35 g/mol, XLogP of 1.26, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)ethane-1,2-diamine is sourced from PubChem (CID 63207898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).