N-ethyl-N'-furo[3,2-c]pyridin-4-yl-N'-methylethane-1,2-diamine

C12H17N3O — CID 106535603

IUPACN-ethyl-N'-furo[3,2-c]pyridin-4-yl-N'-methylethane-1,2-diamine
SMILESCCNCCN(C)c1nccc2occc12
InChIInChI=1S/C12H17N3O/c1-3-13-7-8-15(2)12-10-5-9-16-11(10)4-6-14-12/h4-6,9,13H,3,7-8H2,1-2H3
InChIKeyMWHMTNJXNHYUGU-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.87
Rot. Bonds5

About N-ethyl-N'-furo[3,2-c]pyridin-4-yl-N'-methylethane-1,2-diamine

N-ethyl-N'-furo[3,2-c]pyridin-4-yl-N'-methylethane-1,2-diamine (PubChem CID 106535603) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-ethyl-N'-furo[3,2-c]pyridin-4-yl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-furo[3,2-c]pyridin-4-yl-N'-methylethane-1,2-diamine
PubChem CID106535603
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-ethyl-N'-furo[3,2-c]pyridin-4-yl-N'-methylethane-1,2-diamine
SMILESCCNCCN(C)c1nccc2occc12
InChIInChI=1S/C12H17N3O/c1-3-13-7-8-15(2)12-10-5-9-16-11(10)4-6-14-12/h4-6,9,13H,3,7-8H2,1-2H3
InChIKeyMWHMTNJXNHYUGU-UHFFFAOYSA-N
XLogP1.87
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.87
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'-furo[3,2-c]pyridin-4-yl-N'-methyl-N-propylethane-1,2-diamine
CID 106535582
1-[furo[3,2-c]pyridin-4-yl(methyl)amino]-2-methylpropan-2-ol
CID 84594980
ethyl 3-[furo[3,2-c]pyridin-4-yl(methyl)amino]propanoate
CID 103911820
1-[furo[3,2-c]pyridin-4-yl(methyl)amino]propan-2-ol
CID 91662123
N'-(3-bromo-4-methyl-2-pyridinyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 106878733
N-(1-chloropropan-2-yl)-N-methylfuro[3,2-c]pyridin-4-amine
CID 106535724
2-[furo[3,2-c]pyridin-4-yl(methyl)amino]propan-1-ol
CID 103873021
2-[furo[3,2-c]pyridin-4-yl(propyl)amino]acetic acid
CID 106534820
2-[furo[3,2-c]pyridin-4-yl(propan-2-yl)amino]ethanol
CID 106535445
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylfuro[3,2-c]pyridin-4-amine
CID 71929736
N-ethyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine
CID 62586727
N-propyl-N-pyrrolidin-3-ylfuro[3,2-c]pyridin-4-amine
CID 106535287

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-furo[3,2-c]pyridin-4-yl-N'-methylethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-furo[3,2-c]pyridin-4-yl-N'-methylethane-1,2-diamine (CID 106535603) is N-ethyl-N'-furo[3,2-c]pyridin-4-yl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-furo[3,2-c]pyridin-4-yl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-furo[3,2-c]pyridin-4-yl-N'-methylethane-1,2-diamine is CCNCCN(C)c1nccc2occc12.
What is the InChIKey of N-ethyl-N'-furo[3,2-c]pyridin-4-yl-N'-methylethane-1,2-diamine?
The InChIKey is MWHMTNJXNHYUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-13-7-8-15(2)12-10-5-9-16-11(10)4-6-14-12/h4-6,9,13H,3,7-8H2,1-2H3.
What are the key properties of N-ethyl-N'-furo[3,2-c]pyridin-4-yl-N'-methylethane-1,2-diamine?
N-ethyl-N'-furo[3,2-c]pyridin-4-yl-N'-methylethane-1,2-diamine has a molecular weight of 219.29 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-furo[3,2-c]pyridin-4-yl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 106535603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).