1-N-ethyl-1-N-methyl-2-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propane-1,2-diamine

C14H26N4 — CID 131919416

IUPAC1-N-ethyl-1-N-methyl-2-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propane-1,2-diamine
SMILESCCN(C)CC(C)NCCNc1ccncc1C
InChIInChI=1S/C14H26N4/c1-5-18(4)11-13(3)16-8-9-17-14-6-7-15-10-12(14)2/h6-7,10,13,16H,5,8-9,11H2,1-4H3,(H,15,17)
InChIKeyJONQCQQUQMFEIB-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.73
Rot. Bonds8

About 1-N-ethyl-1-N-methyl-2-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propane-1,2-diamine

1-N-ethyl-1-N-methyl-2-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propane-1,2-diamine (PubChem CID 131919416) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-N-ethyl-1-N-methyl-2-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-methyl-2-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propane-1,2-diamine
PubChem CID131919416
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-N-ethyl-1-N-methyl-2-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propane-1,2-diamine
SMILESCCN(C)CC(C)NCCNc1ccncc1C
InChIInChI=1S/C14H26N4/c1-5-18(4)11-13(3)16-8-9-17-14-6-7-15-10-12(14)2/h6-7,10,13,16H,5,8-9,11H2,1-4H3,(H,15,17)
InChIKeyJONQCQQUQMFEIB-UHFFFAOYSA-N
XLogP1.73
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
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 1-N-ethyl-1-N-methyl-2-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-methyl-2-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propane-1,2-diamine (CID 131919416) is 1-N-ethyl-1-N-methyl-2-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-methyl-2-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-methyl-2-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propane-1,2-diamine is CCN(C)CC(C)NCCNc1ccncc1C.
What is the InChIKey of 1-N-ethyl-1-N-methyl-2-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propane-1,2-diamine?
The InChIKey is JONQCQQUQMFEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-18(4)11-13(3)16-8-9-17-14-6-7-15-10-12(14)2/h6-7,10,13,16H,5,8-9,11H2,1-4H3,(H,15,17).
What are the key properties of 1-N-ethyl-1-N-methyl-2-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propane-1,2-diamine?
1-N-ethyl-1-N-methyl-2-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-methyl-2-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propane-1,2-diamine is sourced from PubChem (CID 131919416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).