N'-furo[3,2-c]pyridin-4-yl-N'-methyl-N-propylethane-1,2-diamine

C13H19N3O — CID 106535582

IUPACN'-furo[3,2-c]pyridin-4-yl-N'-methyl-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)c1nccc2occc12
InChIInChI=1S/C13H19N3O/c1-3-6-14-8-9-16(2)13-11-5-10-17-12(11)4-7-15-13/h4-5,7,10,14H,3,6,8-9H2,1-2H3
InChIKeyLAKCKONTMVIQPA-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.26
Rot. Bonds6

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

N'-furo[3,2-c]pyridin-4-yl-N'-methyl-N-propylethane-1,2-diamine (PubChem CID 106535582) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N'-furo[3,2-c]pyridin-4-yl-N'-methyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-furo[3,2-c]pyridin-4-yl-N'-methyl-N-propylethane-1,2-diamine
PubChem CID106535582
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN'-furo[3,2-c]pyridin-4-yl-N'-methyl-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)c1nccc2occc12
InChIInChI=1S/C13H19N3O/c1-3-6-14-8-9-16(2)13-11-5-10-17-12(11)4-7-15-13/h4-5,7,10,14H,3,6,8-9H2,1-2H3
InChIKeyLAKCKONTMVIQPA-UHFFFAOYSA-N
XLogP2.26
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.26
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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Frequently Asked Questions

What is the IUPAC name of N'-furo[3,2-c]pyridin-4-yl-N'-methyl-N-propylethane-1,2-diamine?
The IUPAC name of N'-furo[3,2-c]pyridin-4-yl-N'-methyl-N-propylethane-1,2-diamine (CID 106535582) is N'-furo[3,2-c]pyridin-4-yl-N'-methyl-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-furo[3,2-c]pyridin-4-yl-N'-methyl-N-propylethane-1,2-diamine?
The canonical SMILES for N'-furo[3,2-c]pyridin-4-yl-N'-methyl-N-propylethane-1,2-diamine is CCCNCCN(C)c1nccc2occc12.
What is the InChIKey of N'-furo[3,2-c]pyridin-4-yl-N'-methyl-N-propylethane-1,2-diamine?
The InChIKey is LAKCKONTMVIQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-6-14-8-9-16(2)13-11-5-10-17-12(11)4-7-15-13/h4-5,7,10,14H,3,6,8-9H2,1-2H3.
What are the key properties of N'-furo[3,2-c]pyridin-4-yl-N'-methyl-N-propylethane-1,2-diamine?
N'-furo[3,2-c]pyridin-4-yl-N'-methyl-N-propylethane-1,2-diamine has a molecular weight of 233.31 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-furo[3,2-c]pyridin-4-yl-N'-methyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 106535582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).