N-butyl-5-chloro-N-ethyl-6-(propylaminomethyl)pyridin-2-amine

C15H26ClN3 — CID 55054566

IUPACN-butyl-5-chloro-N-ethyl-6-(propylaminomethyl)pyridin-2-amine
SMILESCCCCN(CC)c1ccc(Cl)c(CNCCC)n1
InChIInChI=1S/C15H26ClN3/c1-4-7-11-19(6-3)15-9-8-13(16)14(18-15)12-17-10-5-2/h8-9,17H,4-7,10-12H2,1-3H3
InChIKeyKVYMMJVAISTBBR-UHFFFAOYSA-N
MW283.85 g/mol
LogP3.86
Rot. Bonds9

About N-butyl-5-chloro-N-ethyl-6-(propylaminomethyl)pyridin-2-amine

N-butyl-5-chloro-N-ethyl-6-(propylaminomethyl)pyridin-2-amine (PubChem CID 55054566) has the molecular formula C15H26ClN3 and a molecular weight of 283.85 g/mol. Its IUPAC name is N-butyl-5-chloro-N-ethyl-6-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-butyl-5-chloro-N-ethyl-6-(propylaminomethyl)pyridin-2-amine
PubChem CID55054566
Molecular FormulaC15H26ClN3
Molecular Weight283.85 g/mol
Exact Mass283.18
IUPAC NameN-butyl-5-chloro-N-ethyl-6-(propylaminomethyl)pyridin-2-amine
SMILESCCCCN(CC)c1ccc(Cl)c(CNCCC)n1
InChIInChI=1S/C15H26ClN3/c1-4-7-11-19(6-3)15-9-8-13(16)14(18-15)12-17-10-5-2/h8-9,17H,4-7,10-12H2,1-3H3
InChIKeyKVYMMJVAISTBBR-UHFFFAOYSA-N
XLogP3.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.85
LogP ≤ 53.86
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-5-chloro-N-ethyl-6-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of N-butyl-5-chloro-N-ethyl-6-(propylaminomethyl)pyridin-2-amine (CID 55054566) is N-butyl-5-chloro-N-ethyl-6-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-butyl-5-chloro-N-ethyl-6-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-butyl-5-chloro-N-ethyl-6-(propylaminomethyl)pyridin-2-amine is CCCCN(CC)c1ccc(Cl)c(CNCCC)n1.
What is the InChIKey of N-butyl-5-chloro-N-ethyl-6-(propylaminomethyl)pyridin-2-amine?
The InChIKey is KVYMMJVAISTBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3/c1-4-7-11-19(6-3)15-9-8-13(16)14(18-15)12-17-10-5-2/h8-9,17H,4-7,10-12H2,1-3H3.
What are the key properties of N-butyl-5-chloro-N-ethyl-6-(propylaminomethyl)pyridin-2-amine?
N-butyl-5-chloro-N-ethyl-6-(propylaminomethyl)pyridin-2-amine has a molecular weight of 283.85 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-chloro-N-ethyl-6-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 55054566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).