2-N,2-N-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine

C14H24N4 — CID 55100280

IUPAC2-N,2-N-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine
SMILESCN1CCC(CNc2ccc(N(C)C)nc2)CC1
InChIInChI=1S/C14H24N4/c1-17(2)14-5-4-13(11-16-14)15-10-12-6-8-18(3)9-7-12/h4-5,11-12,15H,6-10H2,1-3H3
InChIKeyXOHHVLOVIUPAFQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.90
Rot. Bonds4

About 2-N,2-N-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine

2-N,2-N-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine (PubChem CID 55100280) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine
PubChem CID55100280
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-N,2-N-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine
SMILESCN1CCC(CNc2ccc(N(C)C)nc2)CC1
InChIInChI=1S/C14H24N4/c1-17(2)14-5-4-13(11-16-14)15-10-12-6-8-18(3)9-7-12/h4-5,11-12,15H,6-10H2,1-3H3
InChIKeyXOHHVLOVIUPAFQ-UHFFFAOYSA-N
XLogP1.90
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine?
The IUPAC name of 2-N,2-N-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine (CID 55100280) is 2-N,2-N-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine is CN1CCC(CNc2ccc(N(C)C)nc2)CC1.
What is the InChIKey of 2-N,2-N-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine?
The InChIKey is XOHHVLOVIUPAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-17(2)14-5-4-13(11-16-14)15-10-12-6-8-18(3)9-7-12/h4-5,11-12,15H,6-10H2,1-3H3.
What are the key properties of 2-N,2-N-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine?
2-N,2-N-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine has a molecular weight of 248.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 55100280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).