N-butyl-5-(1-methylpyrrolidin-2-yl)pyridin-2-amine

C14H23N3 — CID 102540283

IUPACN-butyl-5-(1-methylpyrrolidin-2-yl)pyridin-2-amine
SMILESCCCCNc1ccc(C2CCCN2C)cn1
InChIInChI=1S/C14H23N3/c1-3-4-9-15-14-8-7-12(11-16-14)13-6-5-10-17(13)2/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,15,16)
InChIKeyIVKCGMJMPMWUTL-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.06
Rot. Bonds5

About N-butyl-5-(1-methylpyrrolidin-2-yl)pyridin-2-amine

N-butyl-5-(1-methylpyrrolidin-2-yl)pyridin-2-amine (PubChem CID 102540283) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-butyl-5-(1-methylpyrrolidin-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-butyl-5-(1-methylpyrrolidin-2-yl)pyridin-2-amine
PubChem CID102540283
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-butyl-5-(1-methylpyrrolidin-2-yl)pyridin-2-amine
SMILESCCCCNc1ccc(C2CCCN2C)cn1
InChIInChI=1S/C14H23N3/c1-3-4-9-15-14-8-7-12(11-16-14)13-6-5-10-17(13)2/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,15,16)
InChIKeyIVKCGMJMPMWUTL-UHFFFAOYSA-N
XLogP3.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[6-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone
CID 102540287
N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]heptanamide
CID 139915367
[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]urea
CID 149435675
1,3-bis[5-(1-methylpiperidin-2-yl)-2-pyridinyl]urea
CID 23263071
2-[4-(aminomethyl)cyclohexyl]-N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]acetamide
CID 139915368
2-methyl-5-(1-methylpyrrolidin-2-yl)pyridine
CID 5020711
tert-butyl 2-[6-(propylamino)-3-pyridinyl]pyrrolidine-1-carboxylate
CID 102540097
5-(1-butylpyrrolidin-2-yl)-N-phenylpyridin-2-amine
CID 102540517
2-(4-butoxyphenyl)-1-methylpyrrolidine;methane
CID 159295840
N-butan-2-yl-5-(1-ethylpyrrolidin-2-yl)pyridin-2-amine
CID 102540222
N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]pyridine-3-carboxamide
CID 139834352
2-tert-butylsulfanyl-5-(1-methylpyrrolidin-2-yl)pyridine
CID 102542194

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(1-methylpyrrolidin-2-yl)pyridin-2-amine?
The IUPAC name of N-butyl-5-(1-methylpyrrolidin-2-yl)pyridin-2-amine (CID 102540283) is N-butyl-5-(1-methylpyrrolidin-2-yl)pyridin-2-amine.
What is the SMILES notation for N-butyl-5-(1-methylpyrrolidin-2-yl)pyridin-2-amine?
The canonical SMILES for N-butyl-5-(1-methylpyrrolidin-2-yl)pyridin-2-amine is CCCCNc1ccc(C2CCCN2C)cn1.
What is the InChIKey of N-butyl-5-(1-methylpyrrolidin-2-yl)pyridin-2-amine?
The InChIKey is IVKCGMJMPMWUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-4-9-15-14-8-7-12(11-16-14)13-6-5-10-17(13)2/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,15,16).
What are the key properties of N-butyl-5-(1-methylpyrrolidin-2-yl)pyridin-2-amine?
N-butyl-5-(1-methylpyrrolidin-2-yl)pyridin-2-amine has a molecular weight of 233.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(1-methylpyrrolidin-2-yl)pyridin-2-amine is sourced from PubChem (CID 102540283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).