6-chloro-N-ethyl-6-methyl-1H-pyridin-3-amine

C8H13ClN2 — CID 151105527

IUPAC6-chloro-N-ethyl-6-methyl-1H-pyridin-3-amine
SMILESCCNC1=CNC(C)(Cl)C=C1
InChIInChI=1S/C8H13ClN2/c1-3-10-7-4-5-8(2,9)11-6-7/h4-6,10-11H,3H2,1-2H3
InChIKeyMPAJMRNXZJLGCX-UHFFFAOYSA-N
MW172.66 g/mol
LogP1.55
Rot. Bonds2

About 6-chloro-N-ethyl-6-methyl-1H-pyridin-3-amine

6-chloro-N-ethyl-6-methyl-1H-pyridin-3-amine (PubChem CID 151105527) has the molecular formula C8H13ClN2 and a molecular weight of 172.66 g/mol. Its IUPAC name is 6-chloro-N-ethyl-6-methyl-1H-pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-6-methyl-1H-pyridin-3-amine
PubChem CID151105527
Molecular FormulaC8H13ClN2
Molecular Weight172.66 g/mol
Exact Mass172.08
IUPAC Name6-chloro-N-ethyl-6-methyl-1H-pyridin-3-amine
SMILESCCNC1=CNC(C)(Cl)C=C1
InChIInChI=1S/C8H13ClN2/c1-3-10-7-4-5-8(2,9)11-6-7/h4-6,10-11H,3H2,1-2H3
InChIKeyMPAJMRNXZJLGCX-UHFFFAOYSA-N
XLogP1.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.66
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-6-methyl-1H-pyridin-3-amine?
The IUPAC name of 6-chloro-N-ethyl-6-methyl-1H-pyridin-3-amine (CID 151105527) is 6-chloro-N-ethyl-6-methyl-1H-pyridin-3-amine.
What is the SMILES notation for 6-chloro-N-ethyl-6-methyl-1H-pyridin-3-amine?
The canonical SMILES for 6-chloro-N-ethyl-6-methyl-1H-pyridin-3-amine is CCNC1=CNC(C)(Cl)C=C1.
What is the InChIKey of 6-chloro-N-ethyl-6-methyl-1H-pyridin-3-amine?
The InChIKey is MPAJMRNXZJLGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2/c1-3-10-7-4-5-8(2,9)11-6-7/h4-6,10-11H,3H2,1-2H3.
What are the key properties of 6-chloro-N-ethyl-6-methyl-1H-pyridin-3-amine?
6-chloro-N-ethyl-6-methyl-1H-pyridin-3-amine has a molecular weight of 172.66 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-6-methyl-1H-pyridin-3-amine is sourced from PubChem (CID 151105527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).