5-N-(cyclobutylmethyl)-3-N-ethyl-5-N-methylpyridine-3,5-diamine

C13H21N3 — CID 104534351

IUPAC5-N-(cyclobutylmethyl)-3-N-ethyl-5-N-methylpyridine-3,5-diamine
SMILESCCNc1cncc(N(C)CC2CCC2)c1
InChIInChI=1S/C13H21N3/c1-3-15-12-7-13(9-14-8-12)16(2)10-11-5-4-6-11/h7-9,11,15H,3-6,10H2,1-2H3
InChIKeyDMJDBLFVOJFDSS-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.75
Rot. Bonds5

About 5-N-(cyclobutylmethyl)-3-N-ethyl-5-N-methylpyridine-3,5-diamine

5-N-(cyclobutylmethyl)-3-N-ethyl-5-N-methylpyridine-3,5-diamine (PubChem CID 104534351) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-N-(cyclobutylmethyl)-3-N-ethyl-5-N-methylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(cyclobutylmethyl)-3-N-ethyl-5-N-methylpyridine-3,5-diamine
PubChem CID104534351
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name5-N-(cyclobutylmethyl)-3-N-ethyl-5-N-methylpyridine-3,5-diamine
SMILESCCNc1cncc(N(C)CC2CCC2)c1
InChIInChI=1S/C13H21N3/c1-3-15-12-7-13(9-14-8-12)16(2)10-11-5-4-6-11/h7-9,11,15H,3-6,10H2,1-2H3
InChIKeyDMJDBLFVOJFDSS-UHFFFAOYSA-N
XLogP2.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-ethyl-5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3,5-diamine
CID 104534547
5-bromo-N-(cyclopentylmethyl)-N-methylpyridin-3-amine
CID 115657325
3-[[methyl-[5-(propylamino)-3-pyridinyl]amino]methyl]cyclobutan-1-ol
CID 104535126
5-N-methyl-5-N-(oxolan-2-ylmethyl)-3-N-propylpyridine-3,5-diamine
CID 104533314
3-N-ethyl-5-N-methyl-5-N-pentan-3-ylpyridine-3,5-diamine
CID 104533037
5-N-cyclopropyl-3-N-ethyl-5-N-(furan-2-ylmethyl)pyridine-3,5-diamine
CID 104533818
3-N-ethyl-5-N-methyl-5-N-phenylpyridine-3,5-diamine
CID 104532448
4-N-(cyclobutylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80825415
3-N-ethyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine
CID 104532945
5-N-ethylpyridine-3,5-diamine
CID 104532571
3-N-ethyl-5-N-methyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3,5-diamine
CID 113423912
3-N-ethyl-5-N-(4-ethylphenyl)-5-N-methylpyridine-3,5-diamine
CID 104534081

Frequently Asked Questions

What is the IUPAC name of 5-N-(cyclobutylmethyl)-3-N-ethyl-5-N-methylpyridine-3,5-diamine?
The IUPAC name of 5-N-(cyclobutylmethyl)-3-N-ethyl-5-N-methylpyridine-3,5-diamine (CID 104534351) is 5-N-(cyclobutylmethyl)-3-N-ethyl-5-N-methylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(cyclobutylmethyl)-3-N-ethyl-5-N-methylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(cyclobutylmethyl)-3-N-ethyl-5-N-methylpyridine-3,5-diamine is CCNc1cncc(N(C)CC2CCC2)c1.
What is the InChIKey of 5-N-(cyclobutylmethyl)-3-N-ethyl-5-N-methylpyridine-3,5-diamine?
The InChIKey is DMJDBLFVOJFDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-15-12-7-13(9-14-8-12)16(2)10-11-5-4-6-11/h7-9,11,15H,3-6,10H2,1-2H3.
What are the key properties of 5-N-(cyclobutylmethyl)-3-N-ethyl-5-N-methylpyridine-3,5-diamine?
5-N-(cyclobutylmethyl)-3-N-ethyl-5-N-methylpyridine-3,5-diamine has a molecular weight of 219.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(cyclobutylmethyl)-3-N-ethyl-5-N-methylpyridine-3,5-diamine is sourced from PubChem (CID 104534351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).