3-N-methyl-5-N,5-N-dipropylpyridine-3,5-diamine

C12H21N3 — CID 104532476

IUPAC3-N-methyl-5-N,5-N-dipropylpyridine-3,5-diamine
SMILESCCCN(CCC)c1cncc(NC)c1
InChIInChI=1S/C12H21N3/c1-4-6-15(7-5-2)12-8-11(13-3)9-14-10-12/h8-10,13H,4-7H2,1-3H3
InChIKeyDSMKKECUQBVOCG-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.75
Rot. Bonds6

About 3-N-methyl-5-N,5-N-dipropylpyridine-3,5-diamine

3-N-methyl-5-N,5-N-dipropylpyridine-3,5-diamine (PubChem CID 104532476) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-N-methyl-5-N,5-N-dipropylpyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-methyl-5-N,5-N-dipropylpyridine-3,5-diamine
PubChem CID104532476
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-N-methyl-5-N,5-N-dipropylpyridine-3,5-diamine
SMILESCCCN(CCC)c1cncc(NC)c1
InChIInChI=1S/C12H21N3/c1-4-6-15(7-5-2)12-8-11(13-3)9-14-10-12/h8-10,13H,4-7H2,1-3H3
InChIKeyDSMKKECUQBVOCG-UHFFFAOYSA-N
XLogP2.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-5-N,5-N-dipropylpyridine-3,5-diamine?
The IUPAC name of 3-N-methyl-5-N,5-N-dipropylpyridine-3,5-diamine (CID 104532476) is 3-N-methyl-5-N,5-N-dipropylpyridine-3,5-diamine.
What is the SMILES notation for 3-N-methyl-5-N,5-N-dipropylpyridine-3,5-diamine?
The canonical SMILES for 3-N-methyl-5-N,5-N-dipropylpyridine-3,5-diamine is CCCN(CCC)c1cncc(NC)c1.
What is the InChIKey of 3-N-methyl-5-N,5-N-dipropylpyridine-3,5-diamine?
The InChIKey is DSMKKECUQBVOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-6-15(7-5-2)12-8-11(13-3)9-14-10-12/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 3-N-methyl-5-N,5-N-dipropylpyridine-3,5-diamine?
3-N-methyl-5-N,5-N-dipropylpyridine-3,5-diamine has a molecular weight of 207.32 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-5-N,5-N-dipropylpyridine-3,5-diamine is sourced from PubChem (CID 104532476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).