2-N-[(1-ethylpiperidin-4-yl)methyl]-5-methylpyridine-2,4-diamine

C14H24N4 — CID 83265626

IUPAC2-N-[(1-ethylpiperidin-4-yl)methyl]-5-methylpyridine-2,4-diamine
SMILESCCN1CCC(CNc2cc(N)c(C)cn2)CC1
InChIInChI=1S/C14H24N4/c1-3-18-6-4-12(5-7-18)10-17-14-8-13(15)11(2)9-16-14/h8-9,12H,3-7,10H2,1-2H3,(H3,15,16,17)
InChIKeyBVPQSWKFDKUKIZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.12
Rot. Bonds4

About 2-N-[(1-ethylpiperidin-4-yl)methyl]-5-methylpyridine-2,4-diamine

2-N-[(1-ethylpiperidin-4-yl)methyl]-5-methylpyridine-2,4-diamine (PubChem CID 83265626) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-N-[(1-ethylpiperidin-4-yl)methyl]-5-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1-ethylpiperidin-4-yl)methyl]-5-methylpyridine-2,4-diamine
PubChem CID83265626
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-N-[(1-ethylpiperidin-4-yl)methyl]-5-methylpyridine-2,4-diamine
SMILESCCN1CCC(CNc2cc(N)c(C)cn2)CC1
InChIInChI=1S/C14H24N4/c1-3-18-6-4-12(5-7-18)10-17-14-8-13(15)11(2)9-16-14/h8-9,12H,3-7,10H2,1-2H3,(H3,15,16,17)
InChIKeyBVPQSWKFDKUKIZ-UHFFFAOYSA-N
XLogP2.12
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 55329
CID 55329
CID 8732
CID 8732
CID 23362
CID 23362
CID 73341
CID 73341
CID 94459
CID 94459
CID 4826
CID 4826
CID 11565518
CID 11565518
CID 83053
CID 83053
CID 2178
CID 2178
CID 2737203
CID 2737203
CID 2777786
CID 2777786
CID 2366458
CID 2366458

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-ethylpiperidin-4-yl)methyl]-5-methylpyridine-2,4-diamine?
The IUPAC name of 2-N-[(1-ethylpiperidin-4-yl)methyl]-5-methylpyridine-2,4-diamine (CID 83265626) is 2-N-[(1-ethylpiperidin-4-yl)methyl]-5-methylpyridine-2,4-diamine.
What is the SMILES notation for 2-N-[(1-ethylpiperidin-4-yl)methyl]-5-methylpyridine-2,4-diamine?
The canonical SMILES for 2-N-[(1-ethylpiperidin-4-yl)methyl]-5-methylpyridine-2,4-diamine is CCN1CCC(CNc2cc(N)c(C)cn2)CC1.
What is the InChIKey of 2-N-[(1-ethylpiperidin-4-yl)methyl]-5-methylpyridine-2,4-diamine?
The InChIKey is BVPQSWKFDKUKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-18-6-4-12(5-7-18)10-17-14-8-13(15)11(2)9-16-14/h8-9,12H,3-7,10H2,1-2H3,(H3,15,16,17).
What are the key properties of 2-N-[(1-ethylpiperidin-4-yl)methyl]-5-methylpyridine-2,4-diamine?
2-N-[(1-ethylpiperidin-4-yl)methyl]-5-methylpyridine-2,4-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-ethylpiperidin-4-yl)methyl]-5-methylpyridine-2,4-diamine is sourced from PubChem (CID 83265626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).