6-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,5-diamine

C14H24N4 — CID 82060939

IUPAC6-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,5-diamine
SMILESCc1nc(NCCCCN2CCCC2)ccc1N
InChIInChI=1S/C14H24N4/c1-12-13(15)6-7-14(17-12)16-8-2-3-9-18-10-4-5-11-18/h6-7H,2-5,8-11,15H2,1H3,(H,16,17)
InChIKeyIEMVGWONCPSEML-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.26
Rot. Bonds6

About 6-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,5-diamine

6-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,5-diamine (PubChem CID 82060939) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 6-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,5-diamine
PubChem CID82060939
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name6-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,5-diamine
SMILESCc1nc(NCCCCN2CCCC2)ccc1N
InChIInChI=1S/C14H24N4/c1-12-13(15)6-7-14(17-12)16-8-2-3-9-18-10-4-5-11-18/h6-7H,2-5,8-11,15H2,1H3,(H,16,17)
InChIKeyIEMVGWONCPSEML-UHFFFAOYSA-N
XLogP2.26
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-6-methyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 114046561
2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine
CID 72914778
methyl 2-methyl-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxylate
CID 133432183
6-methyl-2-N-(5-methylhexyl)pyridine-2,5-diamine
CID 115324773
6-N-(3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine
CID 80646711
4-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid
CID 82060932
6-methyl-2-N-[2-(1-methylpiperidin-3-yl)ethyl]pyridine-2,5-diamine
CID 115147756
2-N-[2-(azepan-1-yl)ethyl]-6-propoxypyridine-2,5-diamine
CID 61239615
6-hydrazinyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 80914696
5-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,3-diamine
CID 82057653
6-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3,6-triamine
CID 79826230
6-methyl-2-N-(2-piperidin-1-ylethyl)pyridine-2,3-diamine
CID 81132438

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,5-diamine?
The IUPAC name of 6-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,5-diamine (CID 82060939) is 6-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,5-diamine?
The canonical SMILES for 6-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,5-diamine is Cc1nc(NCCCCN2CCCC2)ccc1N.
What is the InChIKey of 6-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,5-diamine?
The InChIKey is IEMVGWONCPSEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-12-13(15)6-7-14(17-12)16-8-2-3-9-18-10-4-5-11-18/h6-7H,2-5,8-11,15H2,1H3,(H,16,17).
What are the key properties of 6-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,5-diamine?
6-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,5-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,5-diamine is sourced from PubChem (CID 82060939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).