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

C12H19N3O — CID 104535382

IUPAC5-N-[2-(cyclopropylmethoxy)ethyl]-5-N-methylpyridine-3,5-diamine
SMILESCN(CCOCC1CC1)c1cncc(N)c1
InChIInChI=1S/C12H19N3O/c1-15(4-5-16-9-10-2-3-10)12-6-11(13)7-14-8-12/h6-8,10H,2-5,9,13H2,1H3
InChIKeyBLNDHIQMSQDNJJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.53
Rot. Bonds6

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

5-N-[2-(cyclopropylmethoxy)ethyl]-5-N-methylpyridine-3,5-diamine (PubChem CID 104535382) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-N-[2-(cyclopropylmethoxy)ethyl]-5-N-methylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-(cyclopropylmethoxy)ethyl]-5-N-methylpyridine-3,5-diamine
PubChem CID104535382
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-N-[2-(cyclopropylmethoxy)ethyl]-5-N-methylpyridine-3,5-diamine
SMILESCN(CCOCC1CC1)c1cncc(N)c1
InChIInChI=1S/C12H19N3O/c1-15(4-5-16-9-10-2-3-10)12-6-11(13)7-14-8-12/h6-8,10H,2-5,9,13H2,1H3
InChIKeyBLNDHIQMSQDNJJ-UHFFFAOYSA-N
XLogP1.53
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(cyclopropylmethoxy)ethyl]-5-N-methylpyridine-3,5-diamine?
The IUPAC name of 5-N-[2-(cyclopropylmethoxy)ethyl]-5-N-methylpyridine-3,5-diamine (CID 104535382) is 5-N-[2-(cyclopropylmethoxy)ethyl]-5-N-methylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-[2-(cyclopropylmethoxy)ethyl]-5-N-methylpyridine-3,5-diamine?
The canonical SMILES for 5-N-[2-(cyclopropylmethoxy)ethyl]-5-N-methylpyridine-3,5-diamine is CN(CCOCC1CC1)c1cncc(N)c1.
What is the InChIKey of 5-N-[2-(cyclopropylmethoxy)ethyl]-5-N-methylpyridine-3,5-diamine?
The InChIKey is BLNDHIQMSQDNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15(4-5-16-9-10-2-3-10)12-6-11(13)7-14-8-12/h6-8,10H,2-5,9,13H2,1H3.
What are the key properties of 5-N-[2-(cyclopropylmethoxy)ethyl]-5-N-methylpyridine-3,5-diamine?
5-N-[2-(cyclopropylmethoxy)ethyl]-5-N-methylpyridine-3,5-diamine has a molecular weight of 221.30 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(cyclopropylmethoxy)ethyl]-5-N-methylpyridine-3,5-diamine is sourced from PubChem (CID 104535382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).