N,N-diethyl-3-[[3-(methylideneamino)-2-pyridinyl]oxy]propan-1-amine

C13H21N3O — CID 91430807

IUPACN,N-diethyl-3-[[3-(methylideneamino)-2-pyridinyl]oxy]propan-1-amine
SMILESC=Nc1cccnc1OCCCN(CC)CC
InChIInChI=1S/C13H21N3O/c1-4-16(5-2)10-7-11-17-13-12(14-3)8-6-9-15-13/h6,8-9H,3-5,7,10-11H2,1-2H3
InChIKeyLWDDGMMWCNQNAQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.52
Rot. Bonds8

About N,N-diethyl-3-[[3-(methylideneamino)-2-pyridinyl]oxy]propan-1-amine

N,N-diethyl-3-[[3-(methylideneamino)-2-pyridinyl]oxy]propan-1-amine (PubChem CID 91430807) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N,N-diethyl-3-[[3-(methylideneamino)-2-pyridinyl]oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-[[3-(methylideneamino)-2-pyridinyl]oxy]propan-1-amine
PubChem CID91430807
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN,N-diethyl-3-[[3-(methylideneamino)-2-pyridinyl]oxy]propan-1-amine
SMILESC=Nc1cccnc1OCCCN(CC)CC
InChIInChI=1S/C13H21N3O/c1-4-16(5-2)10-7-11-17-13-12(14-3)8-6-9-15-13/h6,8-9H,3-5,7,10-11H2,1-2H3
InChIKeyLWDDGMMWCNQNAQ-UHFFFAOYSA-N
XLogP2.52
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[3-(methylideneamino)-2-pyridinyl]oxy]propan-1-amine?
The IUPAC name of N,N-diethyl-3-[[3-(methylideneamino)-2-pyridinyl]oxy]propan-1-amine (CID 91430807) is N,N-diethyl-3-[[3-(methylideneamino)-2-pyridinyl]oxy]propan-1-amine.
What is the SMILES notation for N,N-diethyl-3-[[3-(methylideneamino)-2-pyridinyl]oxy]propan-1-amine?
The canonical SMILES for N,N-diethyl-3-[[3-(methylideneamino)-2-pyridinyl]oxy]propan-1-amine is C=Nc1cccnc1OCCCN(CC)CC.
What is the InChIKey of N,N-diethyl-3-[[3-(methylideneamino)-2-pyridinyl]oxy]propan-1-amine?
The InChIKey is LWDDGMMWCNQNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-16(5-2)10-7-11-17-13-12(14-3)8-6-9-15-13/h6,8-9H,3-5,7,10-11H2,1-2H3.
What are the key properties of N,N-diethyl-3-[[3-(methylideneamino)-2-pyridinyl]oxy]propan-1-amine?
N,N-diethyl-3-[[3-(methylideneamino)-2-pyridinyl]oxy]propan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[3-(methylideneamino)-2-pyridinyl]oxy]propan-1-amine is sourced from PubChem (CID 91430807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).