1-(furan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine

C12H20N2O2 — CID 114466709

IUPAC1-(furan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
SMILESC=C(C)COCCNC(CN)c1ccco1
InChIInChI=1S/C12H20N2O2/c1-10(2)9-15-7-5-14-11(8-13)12-4-3-6-16-12/h3-4,6,11,14H,1,5,7-9,13H2,2H3
InChIKeyQVHBRXJZCZBSLQ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.46
Rot. Bonds8

About 1-(furan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine

1-(furan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine (PubChem CID 114466709) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
PubChem CID114466709
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(furan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
SMILESC=C(C)COCCNC(CN)c1ccco1
InChIInChI=1S/C12H20N2O2/c1-10(2)9-15-7-5-14-11(8-13)12-4-3-6-16-12/h3-4,6,11,14H,1,5,7-9,13H2,2H3
InChIKeyQVHBRXJZCZBSLQ-UHFFFAOYSA-N
XLogP1.46
TPSA60.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 114466724
2-[2-[1-(furan-2-yl)propylamino]ethoxy]acetamide
CID 106235398
1-(4-chlorothiophen-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 114466541
1-(furan-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912745
1-(furan-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62632133
N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine
CID 62633441
N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine
CID 115698242
1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 115894124
N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline
CID 3147174
(1S)-N-(2-ethoxyethyl)-1-(furan-2-yl)ethanamine
CID 81399975
N'-[1-(furan-2-yl)propyl]butane-1,4-diamine
CID 62633443
4,4-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 114466224

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of 1-(furan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine (CID 114466709) is 1-(furan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for 1-(furan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine is C=C(C)COCCNC(CN)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine?
The InChIKey is QVHBRXJZCZBSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10(2)9-15-7-5-14-11(8-13)12-4-3-6-16-12/h3-4,6,11,14H,1,5,7-9,13H2,2H3.
What are the key properties of 1-(furan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine?
1-(furan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine has a molecular weight of 224.30 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 114466709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).