3-[2-(cyclopropylmethoxy)ethyl]-2-N-methylpyridine-2,5-diamine

C12H19N3O — CID 67535211

IUPAC3-[2-(cyclopropylmethoxy)ethyl]-2-N-methylpyridine-2,5-diamine
SMILESCNc1ncc(N)cc1CCOCC1CC1
InChIInChI=1S/C12H19N3O/c1-14-12-10(6-11(13)7-15-12)4-5-16-8-9-2-3-9/h6-7,9H,2-5,8,13H2,1H3,(H,14,15)
InChIKeyOSJBSVIBKWOCAD-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.67
Rot. Bonds6

About 3-[2-(cyclopropylmethoxy)ethyl]-2-N-methylpyridine-2,5-diamine

3-[2-(cyclopropylmethoxy)ethyl]-2-N-methylpyridine-2,5-diamine (PubChem CID 67535211) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[2-(cyclopropylmethoxy)ethyl]-2-N-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-[2-(cyclopropylmethoxy)ethyl]-2-N-methylpyridine-2,5-diamine
PubChem CID67535211
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-[2-(cyclopropylmethoxy)ethyl]-2-N-methylpyridine-2,5-diamine
SMILESCNc1ncc(N)cc1CCOCC1CC1
InChIInChI=1S/C12H19N3O/c1-14-12-10(6-11(13)7-15-12)4-5-16-8-9-2-3-9/h6-7,9H,2-5,8,13H2,1H3,(H,14,15)
InChIKeyOSJBSVIBKWOCAD-UHFFFAOYSA-N
XLogP1.67
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.67
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 3-[2-(cyclopropylmethoxy)ethyl]-2-N-methylpyridine-2,5-diamine?
The IUPAC name of 3-[2-(cyclopropylmethoxy)ethyl]-2-N-methylpyridine-2,5-diamine (CID 67535211) is 3-[2-(cyclopropylmethoxy)ethyl]-2-N-methylpyridine-2,5-diamine.
What is the SMILES notation for 3-[2-(cyclopropylmethoxy)ethyl]-2-N-methylpyridine-2,5-diamine?
The canonical SMILES for 3-[2-(cyclopropylmethoxy)ethyl]-2-N-methylpyridine-2,5-diamine is CNc1ncc(N)cc1CCOCC1CC1.
What is the InChIKey of 3-[2-(cyclopropylmethoxy)ethyl]-2-N-methylpyridine-2,5-diamine?
The InChIKey is OSJBSVIBKWOCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-14-12-10(6-11(13)7-15-12)4-5-16-8-9-2-3-9/h6-7,9H,2-5,8,13H2,1H3,(H,14,15).
What are the key properties of 3-[2-(cyclopropylmethoxy)ethyl]-2-N-methylpyridine-2,5-diamine?
3-[2-(cyclopropylmethoxy)ethyl]-2-N-methylpyridine-2,5-diamine has a molecular weight of 221.30 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylmethoxy)ethyl]-2-N-methylpyridine-2,5-diamine is sourced from PubChem (CID 67535211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).