N-butan-2-yl-N-butyl-5-chloro-6-(chloromethyl)pyridin-2-amine

C14H22Cl2N2 — CID 55197665

IUPACN-butan-2-yl-N-butyl-5-chloro-6-(chloromethyl)pyridin-2-amine
SMILESCCCCN(c1ccc(Cl)c(CCl)n1)C(C)CC
InChIInChI=1S/C14H22Cl2N2/c1-4-6-9-18(11(3)5-2)14-8-7-12(16)13(10-15)17-14/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyJBAAAGGMMBPRQC-UHFFFAOYSA-N
MW289.25 g/mol
LogP4.88
Rot. Bonds7

About N-butan-2-yl-N-butyl-5-chloro-6-(chloromethyl)pyridin-2-amine

N-butan-2-yl-N-butyl-5-chloro-6-(chloromethyl)pyridin-2-amine (PubChem CID 55197665) has the molecular formula C14H22Cl2N2 and a molecular weight of 289.25 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-5-chloro-6-(chloromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-5-chloro-6-(chloromethyl)pyridin-2-amine
PubChem CID55197665
Molecular FormulaC14H22Cl2N2
Molecular Weight289.25 g/mol
Exact Mass288.12
IUPAC NameN-butan-2-yl-N-butyl-5-chloro-6-(chloromethyl)pyridin-2-amine
SMILESCCCCN(c1ccc(Cl)c(CCl)n1)C(C)CC
InChIInChI=1S/C14H22Cl2N2/c1-4-6-9-18(11(3)5-2)14-8-7-12(16)13(10-15)17-14/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyJBAAAGGMMBPRQC-UHFFFAOYSA-N
XLogP4.88
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-5-chloro-6-(chloromethyl)pyridin-2-amine?
The IUPAC name of N-butan-2-yl-N-butyl-5-chloro-6-(chloromethyl)pyridin-2-amine (CID 55197665) is N-butan-2-yl-N-butyl-5-chloro-6-(chloromethyl)pyridin-2-amine.
What is the SMILES notation for N-butan-2-yl-N-butyl-5-chloro-6-(chloromethyl)pyridin-2-amine?
The canonical SMILES for N-butan-2-yl-N-butyl-5-chloro-6-(chloromethyl)pyridin-2-amine is CCCCN(c1ccc(Cl)c(CCl)n1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-5-chloro-6-(chloromethyl)pyridin-2-amine?
The InChIKey is JBAAAGGMMBPRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N2/c1-4-6-9-18(11(3)5-2)14-8-7-12(16)13(10-15)17-14/h7-8,11H,4-6,9-10H2,1-3H3.
What are the key properties of N-butan-2-yl-N-butyl-5-chloro-6-(chloromethyl)pyridin-2-amine?
N-butan-2-yl-N-butyl-5-chloro-6-(chloromethyl)pyridin-2-amine has a molecular weight of 289.25 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-5-chloro-6-(chloromethyl)pyridin-2-amine is sourced from PubChem (CID 55197665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).