3-N-ethyl-5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3,5-diamine

C15H26N4 — CID 104534547

IUPAC3-N-ethyl-5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3,5-diamine
SMILESCCNc1cncc(N(C)CC2CCN(C)CC2)c1
InChIInChI=1S/C15H26N4/c1-4-17-14-9-15(11-16-10-14)19(3)12-13-5-7-18(2)8-6-13/h9-11,13,17H,4-8,12H2,1-3H3
InChIKeyBAMIKIRCOCRNKQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.29
Rot. Bonds5

About 3-N-ethyl-5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3,5-diamine

3-N-ethyl-5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3,5-diamine (PubChem CID 104534547) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-N-ethyl-5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3,5-diamine
PubChem CID104534547
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name3-N-ethyl-5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3,5-diamine
SMILESCCNc1cncc(N(C)CC2CCN(C)CC2)c1
InChIInChI=1S/C15H26N4/c1-4-17-14-9-15(11-16-10-14)19(3)12-13-5-7-18(2)8-6-13/h9-11,13,17H,4-8,12H2,1-3H3
InChIKeyBAMIKIRCOCRNKQ-UHFFFAOYSA-N
XLogP2.29
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(cyclobutylmethyl)-3-N-ethyl-5-N-methylpyridine-3,5-diamine
CID 104534351
3-[[methyl-[5-(propylamino)-3-pyridinyl]amino]methyl]cyclobutan-1-ol
CID 104535126
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80827748
5-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-3-amine
CID 107584900
5-bromo-N-(cyclopentylmethyl)-N-methylpyridin-3-amine
CID 115657325
N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 63236805
1-[5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-pyridinyl]ethanol
CID 83132165
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-2-carbonitrile
CID 63234581
2-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenesulfonamide
CID 79467123
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
3-N-ethyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine
CID 104532945
3-N-ethyl-5-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-diamine
CID 113423980

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3,5-diamine?
The IUPAC name of 3-N-ethyl-5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3,5-diamine (CID 104534547) is 3-N-ethyl-5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3,5-diamine?
The canonical SMILES for 3-N-ethyl-5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3,5-diamine is CCNc1cncc(N(C)CC2CCN(C)CC2)c1.
What is the InChIKey of 3-N-ethyl-5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3,5-diamine?
The InChIKey is BAMIKIRCOCRNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-17-14-9-15(11-16-10-14)19(3)12-13-5-7-18(2)8-6-13/h9-11,13,17H,4-8,12H2,1-3H3.
What are the key properties of 3-N-ethyl-5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3,5-diamine?
3-N-ethyl-5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3,5-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3,5-diamine is sourced from PubChem (CID 104534547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).