N-(4-chlorobutan-2-yl)-6-methylpyridin-2-amine

C10H15ClN2 — CID 83186651

IUPACN-(4-chlorobutan-2-yl)-6-methylpyridin-2-amine
SMILESCc1cccc(NC(C)CCCl)n1
InChIInChI=1S/C10H15ClN2/c1-8-4-3-5-10(12-8)13-9(2)6-7-11/h3-5,9H,6-7H2,1-2H3,(H,12,13)
InChIKeyHQFIVNCHJWTHMB-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.82
Rot. Bonds4

About N-(4-chlorobutan-2-yl)-6-methylpyridin-2-amine

N-(4-chlorobutan-2-yl)-6-methylpyridin-2-amine (PubChem CID 83186651) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is N-(4-chlorobutan-2-yl)-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(4-chlorobutan-2-yl)-6-methylpyridin-2-amine
PubChem CID83186651
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC NameN-(4-chlorobutan-2-yl)-6-methylpyridin-2-amine
SMILESCc1cccc(NC(C)CCCl)n1
InChIInChI=1S/C10H15ClN2/c1-8-4-3-5-10(12-8)13-9(2)6-7-11/h3-5,9H,6-7H2,1-2H3,(H,12,13)
InChIKeyHQFIVNCHJWTHMB-UHFFFAOYSA-N
XLogP2.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.82
H-Bond Donors ≤ 51
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-(4-chlorobutan-2-yl)-6-methylpyridin-2-amine?
The IUPAC name of N-(4-chlorobutan-2-yl)-6-methylpyridin-2-amine (CID 83186651) is N-(4-chlorobutan-2-yl)-6-methylpyridin-2-amine.
What is the SMILES notation for N-(4-chlorobutan-2-yl)-6-methylpyridin-2-amine?
The canonical SMILES for N-(4-chlorobutan-2-yl)-6-methylpyridin-2-amine is Cc1cccc(NC(C)CCCl)n1.
What is the InChIKey of N-(4-chlorobutan-2-yl)-6-methylpyridin-2-amine?
The InChIKey is HQFIVNCHJWTHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-8-4-3-5-10(12-8)13-9(2)6-7-11/h3-5,9H,6-7H2,1-2H3,(H,12,13).
What are the key properties of N-(4-chlorobutan-2-yl)-6-methylpyridin-2-amine?
N-(4-chlorobutan-2-yl)-6-methylpyridin-2-amine has a molecular weight of 198.70 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutan-2-yl)-6-methylpyridin-2-amine is sourced from PubChem (CID 83186651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).