N-butyl-3-(1-butylpiperidin-2-yl)pyridin-2-amine

C18H31N3 — CID 102540271

IUPACN-butyl-3-(1-butylpiperidin-2-yl)pyridin-2-amine
SMILESCCCCNc1ncccc1C1CCCCN1CCCC
InChIInChI=1S/C18H31N3/c1-3-5-12-19-18-16(10-9-13-20-18)17-11-7-8-15-21(17)14-6-4-2/h9-10,13,17H,3-8,11-12,14-15H2,1-2H3,(H,19,20)
InChIKeyHJEBRIRPUSONGU-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.62
Rot. Bonds8

About N-butyl-3-(1-butylpiperidin-2-yl)pyridin-2-amine

N-butyl-3-(1-butylpiperidin-2-yl)pyridin-2-amine (PubChem CID 102540271) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-butyl-3-(1-butylpiperidin-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-butyl-3-(1-butylpiperidin-2-yl)pyridin-2-amine
PubChem CID102540271
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-butyl-3-(1-butylpiperidin-2-yl)pyridin-2-amine
SMILESCCCCNc1ncccc1C1CCCCN1CCCC
InChIInChI=1S/C18H31N3/c1-3-5-12-19-18-16(10-9-13-20-18)17-11-7-8-15-21(17)14-6-4-2/h9-10,13,17H,3-8,11-12,14-15H2,1-2H3,(H,19,20)
InChIKeyHJEBRIRPUSONGU-UHFFFAOYSA-N
XLogP4.62
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.62
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(1-butylpiperidin-2-yl)pyridin-2-amine?
The IUPAC name of N-butyl-3-(1-butylpiperidin-2-yl)pyridin-2-amine (CID 102540271) is N-butyl-3-(1-butylpiperidin-2-yl)pyridin-2-amine.
What is the SMILES notation for N-butyl-3-(1-butylpiperidin-2-yl)pyridin-2-amine?
The canonical SMILES for N-butyl-3-(1-butylpiperidin-2-yl)pyridin-2-amine is CCCCNc1ncccc1C1CCCCN1CCCC.
What is the InChIKey of N-butyl-3-(1-butylpiperidin-2-yl)pyridin-2-amine?
The InChIKey is HJEBRIRPUSONGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-3-5-12-19-18-16(10-9-13-20-18)17-11-7-8-15-21(17)14-6-4-2/h9-10,13,17H,3-8,11-12,14-15H2,1-2H3,(H,19,20).
What are the key properties of N-butyl-3-(1-butylpiperidin-2-yl)pyridin-2-amine?
N-butyl-3-(1-butylpiperidin-2-yl)pyridin-2-amine has a molecular weight of 289.47 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(1-butylpiperidin-2-yl)pyridin-2-amine is sourced from PubChem (CID 102540271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).