5-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,3-diamine

C14H24N4 — CID 82057653

IUPAC5-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,3-diamine
SMILESCc1cnc(NCCCCN2CCCC2)c(N)c1
InChIInChI=1S/C14H24N4/c1-12-10-13(15)14(17-11-12)16-6-2-3-7-18-8-4-5-9-18/h10-11H,2-9,15H2,1H3,(H,16,17)
InChIKeyOBFNWKLLXTZMNN-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.26
Rot. Bonds6

About 5-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,3-diamine

5-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,3-diamine (PubChem CID 82057653) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,3-diamine
PubChem CID82057653
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name5-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,3-diamine
SMILESCc1cnc(NCCCCN2CCCC2)c(N)c1
InChIInChI=1S/C14H24N4/c1-12-10-13(15)14(17-11-12)16-6-2-3-7-18-8-4-5-9-18/h10-11H,2-9,15H2,1H3,(H,16,17)
InChIKeyOBFNWKLLXTZMNN-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-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 80681081
4-[(3-amino-5-methyl-2-pyridinyl)amino]butan-2-ol
CID 66278456
2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine
CID 72914778
5-methyl-2-(2-pyrrolidin-1-ylethoxy)pyridin-3-amine
CID 66279790
6-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,5-diamine
CID 82060939
5-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
CID 66279532
2-[(3-amino-5-methyl-2-pyridinyl)amino]ethyl carbamate
CID 83202225
5-methyl-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,3-diamine
CID 66278222
2-N-(2-imidazol-1-ylethyl)-5-methylpyridine-2,3-diamine
CID 66280404
3-[(3-amino-5-methyl-2-pyridinyl)amino]-N,N-dimethylpropanamide
CID 66280637
2-N-(2-butoxyethyl)-5-methylpyridine-2,3-diamine
CID 66278004
5-methyl-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106104117

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,3-diamine?
The IUPAC name of 5-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,3-diamine (CID 82057653) is 5-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,3-diamine?
The canonical SMILES for 5-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,3-diamine is Cc1cnc(NCCCCN2CCCC2)c(N)c1.
What is the InChIKey of 5-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,3-diamine?
The InChIKey is OBFNWKLLXTZMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-12-10-13(15)14(17-11-12)16-6-2-3-7-18-8-4-5-9-18/h10-11H,2-9,15H2,1H3,(H,16,17).
What are the key properties of 5-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,3-diamine?
5-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,3-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 5-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,3-diamine is sourced from PubChem (CID 82057653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).